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Screening compounds

Soyasapogenol E

Also known as soyasapogenol-E, Olean-12-en-22-one, 3,23-dihydroxy-, (3beta,4beta)-, (3beta)-3,24-dihydroxyolean-12-en-22-one

CAS 6750-59-0Formula C30H48O3Molar mass 456.71 g/mol
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Soyasapogenol E chemical structure, C30H48O3, CAS 6750-59-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6750-59-0
Formula
C30H48O3
Molar mass
456.71 g/mol
HS code
291440
Category
Screening compounds

What is Soyasapogenol E?

Plain description, key identifiers and synonyms

Soyasapogenol E is a pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13, and is substituted by hydroxy groups at the 3beta and 24-positions, and by an oxo group at position 22. It is a pentacyclic triterpenoid and a cyclic ketone. It derives from a hydride of an oleanane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one
CAS number
6750-59-0
Molecular formula
C30H48O3
UNII
413AYB79AH
InChIKey
FNRBOAGVUNHDIL-LMZUXBMISA-N
InChI
InChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
Canonical SMILES
CC1(C)CC(=O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
Isomeric SMILES
C[C@]12CC[C@@H]([C@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5=O)(C)C)C)C)C)(C)CO)O

Synonyms

  • soyasapogenol-E
  • Olean-12-en-22-one, 3,23-dihydroxy-, (3beta,4beta)-
  • (3beta)-3,24-dihydroxyolean-12-en-22-one
  • 3beta,24-DIHYDROXYOLEAN-12-EN-22-ONE
  • OLEAN-12-EN-22-ONE, 3,24-DIHYDROXY-, (3beta,4beta)-
  • (4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9,12a-heptamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one
  • Olean-12-en-22-one, 3,23-dihydroxy-, (3beta,4.beta.)-
  • Olean-12-en-22-one, 3,24-dihydroxy-, (3beta,4.beta.)-

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
456.71 g/molcalc.
Exact mass
456.3603 Dacalc.
LogP (octanol/water)
6.32calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
33calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
Formal charge
0calc.
Stereocentres
9calc.
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, O=C1CCCC2C3=CCC4C5CCCCC5CCC4C3CCC12

O=C1CCCC2C3=CCC4C5CCCCC5CCC4C3CCC12

5 rings, 23 atoms.

2 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.

Soyasapogenol E suppliers

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Soyasapogenol E price

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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 Soyasapogenol E is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Soyasapogenol E, based on the data on this page

What is Soyasapogenol E?

Soyasapogenol E is a pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13, and is substituted by hydroxy groups at the 3beta and 24-positions, and by an oxo group at position 22. It is a pentacyclic triterpenoid and a cyclic ketone. It derives from a hydride of an oleanane.

What is the CAS number of Soyasapogenol E?

The CAS registry number of Soyasapogenol E is 6750-59-0.

What is the molecular formula and weight of Soyasapogenol E?

The molecular formula of Soyasapogenol E is C30H48O3 and its molar mass is 456.71 g/mol.

What is Soyasapogenol E used for?

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

Is Soyasapogenol E hazardous?

No GHS hazard classification for Soyasapogenol E 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 Soyasapogenol E?

Soyasapogenol E is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Soyasapogenol E?

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What is the price of Soyasapogenol E?

Suppliers quote Soyasapogenol E 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 Soyasapogenol E

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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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