CompoundList
Sign in
Steroids and sterols

Tomatidine

Also known as Tomatidin, (3beta,5alpha,22beta,25S)-Spirosolan-3-ol, Spirosolan-3-ol, (3beta,5alpha,22beta,25S)-

CAS 77-59-8Formula C27H45NO2Molar mass 415.66 g/molEC 201-040-3
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant 5 suppliers listed
Get quotes Compare 5 suppliers
Tomatidine chemical structure, C27H45NO2, CAS 77-59-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
77-59-8
Formula
C27H45NO2
Molar mass
415.66 g/mol
EC number
201-040-3
HS code
293499
Category
Steroids and sterols

What is Tomatidine?

Plain description, key identifiers and synonyms

Tomatidine is a 3beta-hydroxy steroid resulting from the substitution of the 3beta-hydrogen of tomatidane by a hydroxy group. It is an azaspiro compound, a 3beta-hydroxy steroid and an oxaspiro compound. It is a conjugate base of a tomatidine(1+). It derives from a hydride of a tomatidane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol
CAS number
77-59-8 CAS number cross-checked
EC number
201-040-3
Molecular formula
C27H45NO2
UNII
2B73S48786
MDL number
MFCD00075644
InChIKey
XYNPYHXGMWJBLV-VXPJTDKGSA-N
InChI
InChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1
Canonical SMILES
CC1CCC2(NC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C
Isomeric SMILES
C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1

Synonyms

  • Tomatidin
  • (3beta,5alpha,22beta,25S)-Spirosolan-3-ol
  • Spirosolan-3-ol, (3beta,5alpha,22beta,25S)-
  • (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol
  • (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-piperidine)-16-ol
  • (3 beta,5 alpha,22 beta, 25S)-spirosolan-3-ol
  • (22S,25S)-spirosolan-3beta-ol
  • (22S,25S)-5alpha-spirosolan-3beta-ol
  • (25S)-5alpha-Spirosolan-3beta-ol
  • (3|A,5|A,22|A,25S)-Spirosolan-3-ol
  • (22S, 25S)-3-beta-Hydroxy-5-alpha-spirosolane
  • (2S,5'S)-5'-tetramethylspiro[[?]-2,2'-piperidine]ol
  • (3beta,5alpha, 22beta, 25S)Spirosolan-3-ol
  • 5alpha-Tomatidan-3beta-ol, (3beta,5alpha,22beta,25S)-Spirosolan-3-ol
  • (1R,2S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-piperidin]-16-ol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
415.66 g/molcalc.
Exact mass
415.345 Dacalc.
LogP (octanol/water)
5.37calc.
Topological polar surface area
41.49 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
12calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC2(CC3C(CC4C3CCC3C5CCCCC5CCC34)O2)NC1

C1CCC2(CC3C(CC4C3CCC3C5CCCCC5CCC34)O2)NC1

6 rings, 25 atoms.

12 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H302Harmful if swallowed.
  • H331Toxic if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P317If swallowed: Get medical help.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Tomatidine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 5 suppliers
5 of 5 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

5 suppliers in 2 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Tomatidine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Tomatidine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Tomatidine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tomatidine, based on the data on this page

What is Tomatidine?

Tomatidine is a 3beta-hydroxy steroid resulting from the substitution of the 3beta-hydrogen of tomatidane by a hydroxy group. It is an azaspiro compound, a 3beta-hydroxy steroid and an oxaspiro compound. It is a conjugate base of a tomatidine(1+). It derives from a hydride of a tomatidane.

What is the CAS number of Tomatidine?

The CAS registry number of Tomatidine is 77-59-8.

What is the molecular formula and weight of Tomatidine?

The molecular formula of Tomatidine is C27H45NO2 and its molar mass is 415.66 g/mol.

Is Tomatidine hazardous?

Tomatidine carries the GHS signal word "Danger". Main hazards: toxic if swallowed, harmful if swallowed, toxic if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Tomatidine?

Tomatidine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tomatidine?

CompoundList lists 5 suppliers of Tomatidine in United States and China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Tomatidine?

Suppliers quote Tomatidine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Tomatidine

Get quotes for Tomatidine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Tomatidine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Tomatidine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/tomatidine-77-59-8" title="Tomatidine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Steroids and sterols or HS code 293499

5 suppliers
Free quotes, contact stays private
Get quotes