GRATIOGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H48O4
Molecular Weight	472.6997
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]2CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)C(=O)C[C@]23C

InChI

InChIKey=DJFUSGZOFOKWFY-HVNJZMCDSA-N

InChI=1S/C30H48O4/c1-25(2)18-9-11-21-27(5)15-13-20(29(7)16-14-24(34-29)26(3,4)33)28(27,6)17-23(32)30(21,8)19(18)10-12-22(25)31/h9,19-22,24,31,33H,10-17H2,1-8H3/t19-,20+,21+,22+,24+,27+,28-,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H48O4
Molecular Weight	472.6997
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:15:02 GMT 2025` Edited by `admin` on `Mon Mar 31 21:15:02 GMT 2025`
Record UNII	U51X5661GV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2,19,20-TRIHYDROXY-.DELTA.12,13-.BETA.-AMYREN-21-ONE

Preferred Name

English

GRATIOGENIN

Common Name

English

19-NORLANOST-5-EN-11-ONE, 20,24-EPOXY-3,25-DIHYDROXY-9-METHYL-, (3.BETA.,9.BETA.,10.ALPHA.,24S)-

Systematic Name

English

GRATIOGENIN [MI]

Common Name

English

(3.BETA.,9.BETA.,10.ALPHA.,24S)-20,24-EPOXY-3,25-DIHYDROXY-9-METHYL-19-NORLANOST-5-EN-11-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

441824