ANDROSTANEDIOL GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H40O8
Molecular Weight	468.5803
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@@H](CC[C@]34C)O[C@]5([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=GYNWSIBKBBWJJW-WWLGJQRMSA-N

InChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H40O8
Molecular Weight	468.5803
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:59:48 GMT 2023` Edited by `admin` on `Sat Dec 16 16:59:48 GMT 2023`
Record UNII	UN7QBZ76AB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANDROSTANEDIOL GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.ALPHA.,5.ALPHA.,17.BETA.)-17-HYDROXYANDROSTAN-3-YL

Systematic Name

English

GLUCOSIDURONIC ACID, 17.BETA.-HYDROXY-5.ALPHA.-ANDROSTAN-3.ALPHA.-YL

Systematic Name

English

(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-{[(1S,3aS,3bR,5aS,7R,9aS,9bS,11aS)-1-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}oxane-2-carboxylic acid

Systematic Name

English

17-hydroxyandrostane-3-glucuronide

Common Name

English

Code System Code Type Description

CAS

65535-18-4