3-DEHYDROPYXINOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H50O4
Molecular Weight	474.7156
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
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]2[C@H](O)C[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C

InChI

InChIKey=MOCDJPYINJXPKU-BDSQRYQESA-N

InChI=1S/C30H50O4/c1-25(2)20-10-15-28(6)21(27(20,5)13-11-22(25)32)17-19(31)24-18(9-14-29(24,28)7)30(8)16-12-23(34-30)26(3,4)33/h18-21,23-24,31,33H,9-17H2,1-8H3/t18-,19+,20-,21+,23+,24-,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H50O4
Molecular Weight	474.7156
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 `Wed Apr 02 08:33:22 GMT 2025` Edited by `admin` on `Wed Apr 02 08:33:22 GMT 2025`
Record UNII	RCA3293YRJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(20S)-PROTOPANAXADIOL METABOLITE M2-2

Preferred Name

English

3-DEHYDROPYXINOL

Common Name

English

(20S,24R)-12.BETA.,25-DIHYDROXY-20,24-EPOXYDAMMARAN-3-ONE

Systematic Name

English

DAMMARAN-3-ONE, 20,24-EPOXY-12,25-DIHYDROXY-, (12.BETA.,20S,24R)-

Systematic Name

English

(12.BETA.,24R)-20,24-EPOXY-12,25-DIHYDROXYDAMMARAN-3-ONE

Systematic Name

English

Code System Code Type Description

CAS

25279-15-6

Created by admin on Wed Apr 02 08:33:22 GMT 2025 , Edited by admin on Wed Apr 02 08:33:22 GMT 2025

PRIMARY

FDA UNII

RCA3293YRJ

Created by admin on Wed Apr 02 08:33:22 GMT 2025 , Edited by admin on Wed Apr 02 08:33:22 GMT 2025

PRIMARY

PUBCHEM

14038588

Created by admin on Wed Apr 02 08:33:22 GMT 2025 , Edited by admin on Wed Apr 02 08:33:22 GMT 2025

PRIMARY

Related Record Type Details


					MR8AEF5T1N

20-EPIPROTOPANAXADIOL

PARENT -> METABOLITE

Comments:

IN VITRO

Amount: