ME-3738

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H52O3
Molecular Weight	472.7428
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C

InChI

InChIKey=PKYIOGUKISFMKN-NUKYOBHGSA-N

InChI=1S/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h9,21-25,32-33H,10-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29+,30+,31+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H52O3
Molecular Weight	472.7428
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:25:40 GMT 2025` Edited by `admin` on `Mon Mar 31 21:25:40 GMT 2025`
Record UNII	SQ4RA6V9GD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ME-3738

Code

English

22.BETA.-METHOXYOLEAN-12-ENE-3.BETA.,24(4.BETA.)-DIOL

Preferred Name

English

(3.BETA.,4.BETA.,22.BETA.)-22-METHOXYOLEAN-12-ENE-3,23-DIOL

Systematic Name

English

(3S,4S,4AR,6AR,6BS,8AR,9R,12AS,14AR,14BR)-4-(HYDROXYMETHYL)-9-METHOXY-4,6A,6B,8A,11,11,14B-HEPTAMETHYL-1,2,3,4A,5,6,7,8,9,10,12,12A,14,14A-TETRADECAHYDROPICEN-3-OL

Systematic Name

English

OLEAN-12-ENE-3,23-DIOL, 22-METHOXY-, (3.BETA.,4.BETA.,22.BETA.)-

Systematic Name

English

Code System Code Type Description

CAS

186415-82-7

Created by admin on Mon Mar 31 21:25:40 GMT 2025 , Edited by admin on Mon Mar 31 21:25:40 GMT 2025

PRIMARY

FDA UNII

SQ4RA6V9GD

Created by admin on Mon Mar 31 21:25:40 GMT 2025 , Edited by admin on Mon Mar 31 21:25:40 GMT 2025

PRIMARY

PUBCHEM

15894642

Created by admin on Mon Mar 31 21:25:40 GMT 2025 , Edited by admin on Mon Mar 31 21:25:40 GMT 2025

PRIMARY

Related Record Type Details


					SQ4RA6V9GD

ME-3738

ACTIVE MOIETY