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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34O8
Molecular Weight 474.5434
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EXEMESTANE-17-O-GLUCURONIDE

SMILES

[H][C@@]12CC[C@H](O[C@]3([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC(=C)C5=CC(=O)C=C[C@]45C

InChI

InChIKey=XCZFLDRSNZFAQL-VPHACUKXSA-N
InChI=1S/C26H34O8/c1-12-10-14-15-4-5-18(33-24-21(30)19(28)20(29)22(34-24)23(31)32)26(15,3)9-7-16(14)25(2)8-6-13(27)11-17(12)25/h6,8,11,14-16,18-22,24,28-30H,1,4-5,7,9-10H2,2-3H3,(H,31,32)/t14-,15-,16-,18-,19-,20-,21+,22-,24+,25+,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H34O8
Molecular Weight 474.5434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 20:16:20 GMT 2023
Edited
by admin
on Fri Dec 15 20:16:20 GMT 2023
Record UNII
L742P1D49E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EXEMESTANE-17-O-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (17.BETA.)-6-METHYLENE-3-OXOANDROSTA-1,4-DIEN-17-YL
Systematic Name English
17-HYDROXY-6-METHYLENE-ANDROSTA-1,4-DIEN-3-ONE, 17-O-GLUCURONIDE
Systematic Name English
(17.BETA.)-6-METHYLENE-3-OXOANDROSTA-1,4-DIEN-17-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
71749003
Created by admin on Fri Dec 15 20:16:20 GMT 2023 , Edited by admin on Fri Dec 15 20:16:20 GMT 2023
PRIMARY
FDA UNII
L742P1D49E
Created by admin on Fri Dec 15 20:16:20 GMT 2023 , Edited by admin on Fri Dec 15 20:16:20 GMT 2023
PRIMARY
CAS
2268001-09-6
Created by admin on Fri Dec 15 20:16:20 GMT 2023 , Edited by admin on Fri Dec 15 20:16:20 GMT 2023
PRIMARY
Related Record Type Details
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