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Demissidine chemical structure, C27H45NO, CAS 474-08-8
2D chemical structure

Key facts

What buyers check first

CAS number
474-08-8
Formula
C27H45NO
Molar mass
399.66 g/mol
EC number
207-478-1
HS code
293399
Category
Steroids and sterols

What is Demissidine?

Plain description, key identifiers and synonyms

Demissidine is an alkaloid, a steroid and an organic heteropolycyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol
CAS number
474-08-8
EC number
207-478-1
Molecular formula
C27H45NO
UNII
VG66W0726Y
MDL number
MFCD00200961
InChIKey
JALVTHFTYRPDMB-HRRTYWNUSA-N
InChI
InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
Canonical SMILES
CC1CCC2C(C)C3C(CC4C5CCC6CC(O)CCC6(C)C5CCC43C)N2C1
Isomeric SMILES
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)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

Synonyms

  • Dihydrosolanidine
  • Solanidan-3beta-ol
  • Solanidan-3-ol, (3beta,5alpha)-
  • (22R,25S)-5alpha-Solanidan-3beta-ol
  • (1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol
  • (1S,2R,5S,7S,10S,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo(12.10.0.02,11.05,10.015,23.017,22)tetracosan-7-ol
  • (3 beta,5 alpha)-solanidan-3-ol
  • 5alpha-Solanidan-3beta-ol
  • Solanin D
  • Demissidin
  • Solanine D
  • (3-beta,5-alpha)-Solanidan-3-ol
  • (22S,25S)-5alpha-Solanidan-3beta-ol
  • 22R,25S-5alpha-Solanidanine-3beta-ol
  • 5-alpha-Solanidan-3-beta-ol
  • (22S,25S)-5-alpha-Solanidan-3-beta-ol
  • 5alpha-Solanidan-3beta-ol, (22R,25S)-
  • (22S,25S)-5-alpha-Solanidanine-3-beta-ol
  • (3beta,5alpha)-Solanidan-3-ol
  • Solanidan-3-ol, (3-beta,5-alpha)-

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
399.66 g/molcalc.
Exact mass
399.3501 Dacalc.
LogP (octanol/water)
5.73calc.
Topological polar surface area
23.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
29calc.
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, C1CCC2C(C1)CCC1C2CCC2C1CC1C2CC2CCCCN21

C1CCC2C(C1)CCC1C2CCC2C1CC1C2CC2CCCCN21

6 rings, 24 atoms.

5 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H302Harmful if swallowed.
  • H351Suspected of causing cancer.
Precautionary statements (9)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P318If exposed or concerned, get medical advice.
  • P330Rinse mouth.
  • 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

Demissidine suppliers

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

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  • China, WuhanUnclaimed profile
    DemissidineGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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Demissidine price

Indicative price range per kg from live supplier offers

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

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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 Demissidine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Demissidine?

Demissidine is an alkaloid, a steroid and an organic heteropolycyclic compound.

What is the CAS number of Demissidine?

The CAS registry number of Demissidine is 474-08-8.

What is the molecular formula and weight of Demissidine?

The molecular formula of Demissidine is C27H45NO and its molar mass is 399.66 g/mol.

Is Demissidine hazardous?

Demissidine carries the GHS signal word "Warning". Main hazards: harmful if swallowed, suspected of causing cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Demissidine?

Demissidine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Demissidine?

CompoundList lists 1 supplier of Demissidine in 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 Demissidine?

Suppliers quote Demissidine 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 Demissidine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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