3-Bromo-5,22,23-trihydroxystigmastan-6-one, (3β,5α,22S,23S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H49BrO4
Molecular Weight	541.601
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Bromo-5,22,23-trihydroxystigmastan-6-one, (3β,5α,22S,23S)-

Structure Search

SMILES

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

InChI

InChIKey=YULZMZJSERMVLA-VAJWRUOPSA-N

InChI=1S/C29H49BrO4/c1-7-19(16(2)3)26(33)25(32)17(4)21-8-9-22-20-14-24(31)29(34)15-18(30)10-13-28(29,6)23(20)11-12-27(21,22)5/h16-23,25-26,32-34H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,25-,26-,27+,28+,29-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H49BrO4
Molecular Weight	541.601
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:32:26 GMT 2023` Edited by `admin` on `Sat Dec 16 10:32:26 GMT 2023`
Record UNII	WA3VAC84QS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Bromo-5,22,23-trihydroxystigmastan-6-one, (3β,5α,22S,23S)-

Common Name

English

Stigmastan-6-one, 3-bromo-5,22,23-trihydroxy-, (3β,5α,22S,23S)-

Common Name

English

(1R,3aS,3bS,5aR,7S,9aR,9bS,11aS)-7-bromo-1-[(2S,3S,4S,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-5a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one

Systematic Name

English

(3β,5α,22S,23S)-3-Bromo-5,22,23-trihydroxystigmastan-6-one

Common Name

English

(22S,23S)-3-BETA-BROMO-5ALPHA,22,23-TRIHYDROXYSTIGMASTAN-6-ONE

Common Name

English

Code System Code Type Description

FDA UNII

WA3VAC84QS

Created by admin on Sat Dec 16 10:32:26 GMT 2023 , Edited by admin on Sat Dec 16 10:32:26 GMT 2023

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EPA CompTox

DTXSID50940306

Created by admin on Sat Dec 16 10:32:26 GMT 2023 , Edited by admin on Sat Dec 16 10:32:26 GMT 2023

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PUBCHEM

6479887

Created by admin on Sat Dec 16 10:32:26 GMT 2023 , Edited by admin on Sat Dec 16 10:32:26 GMT 2023

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CAS

188127-65-3

Created by admin on Sat Dec 16 10:32:26 GMT 2023 , Edited by admin on Sat Dec 16 10:32:26 GMT 2023

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