U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38O11
Molecular Weight 562.6054
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2α)-17-(Acetyloxy)-2-glucoronide-6-methyl-19-norpregna-4,6-diene-3,20-dione

SMILES

[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@]3([H])[C@@]4([H])C[C@@H](O[C@]5([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)C(=O)C=C4C(C)=C[C@@]23[H]

InChI

InChIKey=RUHIUUOBALNOMY-BPWOAZIHSA-N
InChI=1S/C29H38O11/c1-12-9-18-15(5-7-28(4)19(18)6-8-29(28,13(2)30)40-14(3)31)17-11-21(20(32)10-16(12)17)38-27-24(35)22(33)23(34)25(39-27)26(36)37/h9-10,15,17-19,21-25,27,33-35H,5-8,11H2,1-4H3,(H,36,37)/t15-,17-,18-,19+,21-,22+,23+,24-,25+,27-,28+,29+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2α)-17-(Acetyloxy)-2-glucoronide-6-methyl-19-norpregna-4,6-diene-3,20-dione
Systematic Name English
Code System Code Type Description
FDA UNII
YLK5RSH57K
Created by admin on Sat Dec 16 19:46:49 GMT 2023 , Edited by admin on Sat Dec 16 19:46:49 GMT 2023
PRIMARY
PUBCHEM
168429514
Created by admin on Sat Dec 16 19:46:49 GMT 2023 , Edited by admin on Sat Dec 16 19:46:49 GMT 2023
PRIMARY