ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.-TRIOL 3,20-DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H40O5
Molecular Weight	420.5821
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.-TRIOL 3,20-DIACETATE

Structure Search

SMILES

C[C@@H](OC(C)=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O

InChI

InChIKey=COXXOOWTEWCQRW-OQRGXACUSA-N

InChI=1S/C25H40O5/c1-15(29-16(2)26)25(28)13-10-22-20-7-6-18-14-19(30-17(3)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h15,18-22,28H,6-14H2,1-5H3/t15-,18+,19+,20-,21+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H40O5
Molecular Weight	420.5821
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 22:33:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:33:18 GMT 2025`
Record UNII	12809DE60H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.-TRIOL 3,20-DIACETATE

Common Name

English

ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.-TRIOL 3,20-DIACETATE [MI]

Preferred Name

English

PREGNANE-3,17,20-TRIOL, 3,20-DIACETATE, (3.BETA.,5.ALPHA.,20R)-

Systematic Name

English

5.ALPHA.-PREGNANE-3.BETA.,17,20.BETA.-TRIOL, 3,20-DIACETATE

Systematic Name

English

Code System Code Type Description

FDA UNII

12809DE60H

Created by admin on Mon Mar 31 22:33:18 GMT 2025 , Edited by admin on Mon Mar 31 22:33:18 GMT 2025

PRIMARY

PUBCHEM

14483499

Created by admin on Mon Mar 31 22:33:18 GMT 2025 , Edited by admin on Mon Mar 31 22:33:18 GMT 2025

PRIMARY

CAS

6170-18-9

Created by admin on Mon Mar 31 22:33:18 GMT 2025 , Edited by admin on Mon Mar 31 22:33:18 GMT 2025

PRIMARY

MERCK INDEX

m16

Created by admin on Mon Mar 31 22:33:18 GMT 2025 , Edited by admin on Mon Mar 31 22:33:18 GMT 2025

PRIMARY

Merck Index