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

Structure Search

SMILES

[H][C@@]12CC[C@](O)([C@@H](C)O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@@H](O)CC[C@]34C

InChI

InChIKey=SCPADBBISMMJAW-IPNMKUGPSA-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+/m1/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 `Sat Dec 16 09:03:31 GMT 2023` Edited by `admin` on `Sat Dec 16 09:03:31 GMT 2023`
Record UNII	OHA56HPE4E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

REICHSTEIN'S SUBSTANCE J

Common Name

English

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

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

208-299-1