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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H36O3
Molecular Weight	336.5087
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

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

InChI

InChIKey=SCPADBBISMMJAW-LEKZYSGJSA-N

InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H36O3
Molecular Weight	336.5087
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 22:30:49 GMT 2025` Edited by `admin` on `Mon Mar 31 22:30:49 GMT 2025`
Record UNII	67910O30V9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

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

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

REICHSTEIN'S SUBSTANCE O

Common Name

English

Code System Code Type Description

PUBCHEM

12358747

Created by admin on Mon Mar 31 22:30:49 GMT 2025 , Edited by admin on Mon Mar 31 22:30:49 GMT 2025

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MERCK INDEX

m15

Created by admin on Mon Mar 31 22:30:49 GMT 2025 , Edited by admin on Mon Mar 31 22:30:49 GMT 2025

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Merck Index

CAS

570-50-3

Created by admin on Mon Mar 31 22:30:49 GMT 2025 , Edited by admin on Mon Mar 31 22:30:49 GMT 2025

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FDA UNII

67910O30V9

Created by admin on Mon Mar 31 22:30:49 GMT 2025 , Edited by admin on Mon Mar 31 22:30:49 GMT 2025

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