25OHD3-3-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H52O8
Molecular Weight	576.7612
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@H](CCC3=C)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)[C@H](C)CCCC(C)(C)O

InChI

InChIKey=RYOQRDXVFJRWFJ-VIVSZJOJSA-N

InChI=1S/C33H52O8/c1-19-10-13-23(40-31-28(36)26(34)27(35)29(41-31)30(37)38)18-22(19)12-11-21-9-7-17-33(5)24(14-15-25(21)33)20(2)8-6-16-32(3,4)39/h11-12,20,23-29,31,34-36,39H,1,6-10,13-18H2,2-5H3,(H,37,38)/b21-11+,22-12-/t20-,23+,24-,25+,26+,27+,28-,29+,31-,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H52O8
Molecular Weight	576.7612
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:33:13 UTC 2023` Edited by `admin` on `Sat Dec 16 15:33:13 UTC 2023`
Record UNII	YN76CW017E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

25OHD3-3-O-GLUCURONIDE

Common Name

English

(1S,3Z)-3-((2E)-2-((1R,3AS,7AR)-1-((1R)-5-HYDROXY-1,5-DIMETHYLHEXYL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENECYCLOHEXYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,5Z,7E)-25-HYDROXY-9,10-SECOCHOLESTA-5,7,10(19)-TRIEN-3-YL

Common Name

English

25OHD3-G

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (1S,3Z)-3-((2E)-2-((1R,3AS,7AR)-1-((1R)-5-HYDROXY-1,5-DIMETHYLHEXYL)OCTAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENECYCLOHEXYL

Systematic Name

English

Code System Code Type Description

CAS

170512-14-8

Created by admin on Sat Dec 16 15:33:13 UTC 2023 , Edited by admin on Sat Dec 16 15:33:13 UTC 2023

PRIMARY

PUBCHEM

10257566

Created by admin on Sat Dec 16 15:33:13 UTC 2023 , Edited by admin on Sat Dec 16 15:33:13 UTC 2023

PRIMARY

FDA UNII

YN76CW017E

Created by admin on Sat Dec 16 15:33:13 UTC 2023 , Edited by admin on Sat Dec 16 15:33:13 UTC 2023

PRIMARY

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