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Steroids and sterols

beta-Solanine

Also known as beta2-Solanine, beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl 3-O-beta-D-glucopyranoxyl-

CAS 61877-94-9Formula C39H63NO11Molar mass 721.93 g/mol
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beta-Solanine chemical structure, C39H63NO11, CAS 61877-94-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
61877-94-9
Formula
C39H63NO11
Molar mass
721.93 g/mol
HS code
293890
Category
Steroids and sterols

What is beta-Solanine?

Plain description, key identifiers and synonyms

beta-Solanine is a chemical substance with the molecular formula C39H63NO11 and a molar mass of 721.93 g/mol. Its CAS registry number is 61877-94-9. The IUPAC name is (2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,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]tetracos-4-en-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[[(1S,2S,7S,10R,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]tetracos-4-en-7-yl]oxy]oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CAS number
61877-94-9
Molecular formula
C39H63NO11
UNII
F8ECC8526A
InChIKey
OCVQAFQRXHOFMV-IEGURRFDSA-N
InChI
InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3/t18-,19+,21-,22+,23-,24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-/m0/s1
Canonical SMILES
CC1CCC2C(C)C3C(CC4C5CC=C6CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7O)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=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C

Synonyms

  • beta2-Solanine
  • beta-D-Galactopyranoside, (3beta)-solanid-5-en-3-yl 3-O-beta-D-glucopyranoxyl-

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
721.93 g/molcalc.
Exact mass
721.4401 Dacalc.
LogP (octanol/water)
1.3calc.
Topological polar surface area
181.8 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
6calc.
Heavy atoms
51calc.
Rings
8calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.95calc.
Formal charge
0calc.
Stereocentres
21calc.
Lipinski rule of five
Fails (3 violations)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, C1=C2CC(OC3CC(OC4CCCCO4)CCO3)CCC2C2CCC3C(CC4C3CC3CCCCN34)C2C1

C1=C2CC(OC3CC(OC4CCCCO4)CCO3)CCC2C2CCC3C(CC4C3CC3CCCCN34)C2C1

8 rings, 38 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

beta-Solanine suppliers

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beta-Solanine price

Indicative price range per kg from live supplier offers

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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 beta-Solanine is traded under.

HS 2938.90Indicative HS code

Natural or reproduced by synthesis, other than rutoside (rutin) and its derivatives

World exports in 2024
$1.4B
−8.3% vs 2023, imports $1.35B
2019 to 2024
Top exporters
  1. China49.2%
  2. France * partner reported8.9%
  3. Malaysia6.1%
Top importers
  1. United States22.3%
  2. India * partner reported7.8%
  3. Brazil5.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about beta-Solanine, based on the data on this page

What is beta-Solanine?

beta-Solanine is a chemical substance with the molecular formula C39H63NO11 and a molar mass of 721.93 g/mol. Its CAS registry number is 61877-94-9.

What is the CAS number of beta-Solanine?

The CAS registry number of beta-Solanine is 61877-94-9.

What is the molecular formula and weight of beta-Solanine?

The molecular formula of beta-Solanine is C39H63NO11 and its molar mass is 721.93 g/mol.

Is beta-Solanine hazardous?

No GHS hazard classification for beta-Solanine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of beta-Solanine?

beta-Solanine is usually classified under HS code 293890 (Glycosides, natural or reproduced by synthesis, and their salts, ethers, esters and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy beta-Solanine?

Post a free request on CompoundList and suppliers of beta-Solanine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of beta-Solanine?

Suppliers quote beta-Solanine 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 beta-Solanine

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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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