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Screening compounds

Sitakisogenin

Also known as (3S,4aS,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol

CAS 53187-93-2Formula C30H50O4Molar mass 474.73 g/mol
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Sitakisogenin chemical structure, C30H50O4, CAS 53187-93-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53187-93-2
Formula
C30H50O4
Molar mass
474.73 g/mol
HS code
290619
Category
Screening compounds

What is Sitakisogenin?

Plain description, key identifiers and synonyms

Sitakisogenin has been reported in Gymnema sylvestre.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,4aS,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol
CAS number
53187-93-2
Molecular formula
C30H50O4
InChIKey
XRTLKHZNPLDRSH-XRWCDFGBSA-N
InChI
InChI=1S/C30H50O4/c1-25(2)14-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-28(21,6)29(18,7)15-24(34)30(19,17-31)16-23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,24-,27-,28+,29+,30+/m0/s1
Canonical SMILES
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)CC1O
Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC([C@H](C5)O)(C)C)CO)O)C)C)(C)C)O

Synonyms

  • (3S,4aS,5S,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,5,10-triol

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
474.73 g/molcalc.
Exact mass
474.3709 Dacalc.
LogP (octanol/water)
5.08calc.
Topological polar surface area
80.92 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
10calc.
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, C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

C1=C2C3CCCCC3CCC2C2CCC3CCCCC3C2C1

5 rings, 22 atoms.

402 other chemicals share 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.

Sitakisogenin suppliers

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Sitakisogenin 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

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 Sitakisogenin is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Sitakisogenin?

Sitakisogenin has been reported in Gymnema sylvestre.

What is the CAS number of Sitakisogenin?

The CAS registry number of Sitakisogenin is 53187-93-2.

What is the molecular formula and weight of Sitakisogenin?

The molecular formula of Sitakisogenin is C30H50O4 and its molar mass is 474.73 g/mol.

What is Sitakisogenin used for?

Known uses and roles of Sitakisogenin include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sitakisogenin hazardous?

No GHS hazard classification for Sitakisogenin 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 Sitakisogenin?

Sitakisogenin is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sitakisogenin?

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

What is the price of Sitakisogenin?

Suppliers quote Sitakisogenin 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 Sitakisogenin

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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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