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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H26O3
Molecular Weight 314.4186
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GESTADIENOL

SMILES

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

InChI

InChIKey=GDTZPEHTYWXYAR-XGXHKTLJSA-N
InChI=1S/C20H26O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h3,5,11,15-18,23H,4,6-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H26O3
Molecular Weight 314.4186
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:15:44 UTC 2023
Edited
by admin
on Fri Dec 15 17:15:44 UTC 2023
Record UNII
25L129P05Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GESTADIENOL
INN  
INN  
Official Name English
gestadienol [INN]
Common Name English
17-HYDROXY-19-NORPREGNA-4,6-DIENE-3,20-DIONE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C776
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
Code System Code Type Description
PUBCHEM
219106
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
WIKIPEDIA
Gestadienol
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
SMS_ID
100000080415
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
NCI_THESAURUS
C87239
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
FDA UNII
25L129P05Y
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
ChEMBL
CHEMBL2107402
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
CAS
58769-17-8
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
EPA CompTox
DTXSID90974286
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
INN
2707
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
EVMPD
SUB07900MIG
Created by admin on Fri Dec 15 17:15:44 UTC 2023 , Edited by admin on Fri Dec 15 17:15:44 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY