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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26O3
Molecular Weight 314.4186
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17-HYDROXY-16-17-SECO-ESTRA-4,9,11-TRIENE-3-ONE ACETATE

SMILES

CC[C@H]1[C@@H]2CCC3=CC(=O)CCC3=C2C=C[C@]1(C)COC(C)=O

InChI

InChIKey=JENVVPCGUVVDMW-HSALFYBXSA-N
InChI=1S/C20H26O3/c1-4-19-18-7-5-14-11-15(22)6-8-16(14)17(18)9-10-20(19,3)12-23-13(2)21/h9-11,18-19H,4-8,12H2,1-3H3/t18-,19+,20-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
17-HYDROXY-16-17-SECO-ESTRA-4,9,11-TRIENE-3-ONE ACETATE
Systematic Name English
17-ACETOXY-16,17-SECOESTRA-4,9(10),11-TRIEN-3-ONE
Preferred Name English
2(3H)-PHENANTHRENONE, 7-((ACETYLOXY)METHYL)-8-ETHYL-4,7,8,8A,9,10-HEXAHYDRO-7-METHYL-, (7S-(7.ALPHA.,8.BETA.,8A.BETA.))-
Systematic Name English
Code System Code Type Description
FDA UNII
14PD0O5909
Created by admin on Mon Mar 31 17:51:36 GMT 2025 , Edited by admin on Mon Mar 31 17:51:36 GMT 2025
PRIMARY
PUBCHEM
68143136
Created by admin on Mon Mar 31 17:51:36 GMT 2025 , Edited by admin on Mon Mar 31 17:51:36 GMT 2025
PRIMARY
CAS
39780-20-6
Created by admin on Mon Mar 31 17:51:36 GMT 2025 , Edited by admin on Mon Mar 31 17:51:36 GMT 2025
PRIMARY
NIH
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