ANDROSTERONE GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H38O8
Molecular Weight	466.5644
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCC(=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=VFUIRAVTUVCQTF-BSOWLZGZSA-N

InChI=1S/C25H38O8/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/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H38O8
Molecular Weight	466.5644
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 12:50:18 GMT 2023` Edited by `admin` on `Sat Dec 16 12:50:18 GMT 2023`
Record UNII	IMD4XD0W3U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ANDROSTERONE GLUCURONIDE

Common Name

English

ANDROSTERONE 3-GLUCURONIDE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

NSC-113101

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C2298