Estradiol 3-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H32O8
Molecular Weight	448.5061
Optical Activity	( - )
Defined Stereocenters	10 / 10
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])C4=CC=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C=C4CC[C@@]23[H]

InChI

InChIKey=MUOHJTRCBBDUOW-QXYWQCSFSA-N

InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H32O8
Molecular Weight	448.5061
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:14:26 GMT 2023` Edited by `admin` on `Sat Dec 16 16:14:26 GMT 2023`
Record UNII	32835P5TLT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Estradiol 3-glucuronide

Common Name

English

(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl β-D-glucopyranosiduronic acid

Systematic Name

English

β-D-Glucopyranosiduronic acid, (17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl

Systematic Name

English

Estradiol-17β-3-(β-D-glucuronide)

Common Name

English

Estradiol 3-glucosiduronate

Common Name

English

17β-Estradiol 3-glucosiduronate

Common Name

English

17β-Estradiol 3-glucuronide

Common Name

English

(2S,3S,4S,5R,6S)-6-{[(1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Systematic Name

English

Glucopyranosiduronic acid, 17β-hydroxyestra-1,3,5(10)-trien-3-yl, β-D-

Systematic Name

English

Code System Code Type Description

CAS

15270-30-1