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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H23NO3S
Molecular Weight 357.467
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 10-DEACETYL ADROGOLIDE

SMILES

[H][C@@]12CCC3=CC(OC(C)=O)=C(O)C=C3[C@@]1([H])C4=C(CN2)SC(CCC)=C4

InChI

InChIKey=UPBWWZKWFQBCML-UZLBHIALSA-N
InChI=1S/C20H23NO3S/c1-3-4-13-8-15-19(25-13)10-21-16-6-5-12-7-18(24-11(2)22)17(23)9-14(12)20(15)16/h7-9,16,20-21,23H,3-6,10H2,1-2H3/t16-,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
10-DEACETYL ADROGOLIDE
Common Name English
(-)-TRANS 9-ACETYLOXY-10-HYDROXY-2-PROPYL-4,5,5A,6,7,11B-HEXAHYDRO-3-THIA-5- AZACYCLOPENT-1-ENA(C)PHENANTHRENE
Systematic Name English
BENZO(F)THIENO(2,3-C)QUINOLINE-9,10-DIOL, 4,5,5A,6,7,11B-HEXAHYDRO-2-PROPYL-, 9-ACETATE, (5AR,11BS)-
Systematic Name English
A-86929 MONOACETATE 2
Code English
A-86929.1 MONOACETATE 2 FREE BASE
Code English
Code System Code Type Description
PUBCHEM
9975615
Created by admin on Sat Dec 16 13:58:31 GMT 2023 , Edited by admin on Sat Dec 16 13:58:31 GMT 2023
PRIMARY
CAS
1026654-03-4
Created by admin on Sat Dec 16 13:58:31 GMT 2023 , Edited by admin on Sat Dec 16 13:58:31 GMT 2023
PRIMARY
FDA UNII
8A7U66KA5U
Created by admin on Sat Dec 16 13:58:31 GMT 2023 , Edited by admin on Sat Dec 16 13:58:31 GMT 2023
PRIMARY
NIH
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