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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H52O8
Molecular Weight 576.7624
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 25OHD3-3-O-GLUCURONIDE

SMILES

C=C/1CC[C@@]([H])(C\C1=C(/[H])\C(\[H])=C\2/CCC[C@]3(C)[C@]([H])(CC[C@@]23[H])[C@]([H])(C)CCCC(C)(C)O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)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 576.7624
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 Jun 26 03:42:43 UTC 2021
Edited
by admin
on Sat Jun 26 03:42:43 UTC 2021
Record UNII
YN76CW017E
Record Status Validated (UNII)
Record Version
  • Download
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 Jun 26 03:42:43 UTC 2021 , Edited by admin on Sat Jun 26 03:42:43 UTC 2021
PRIMARY
PUBCHEM
10257566
Created by admin on Sat Jun 26 03:42:43 UTC 2021 , Edited by admin on Sat Jun 26 03:42:43 UTC 2021
PRIMARY
FDA UNII
YN76CW017E
Created by admin on Sat Jun 26 03:42:43 UTC 2021 , Edited by admin on Sat Jun 26 03:42:43 UTC 2021
PRIMARY
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