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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34O4
Molecular Weight 374.5137
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3BETA, 5ALPHA-TETRAHYDROSEGESTERONE ACETATE

SMILES

[H][C@@]12CC(=C)[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@@H](O)CC[C@]34[H]

InChI

InChIKey=IPAZNHSEEFSYSF-CGDAUVCTSA-N
InChI=1S/C23H34O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h16-21,26H,1,5-12H2,2-4H3/t16-,17-,18-,19+,20+,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H34O4
Molecular Weight 374.5137
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:07:03 GMT 2023
Edited
by admin
on Sat Dec 16 15:07:03 GMT 2023
Record UNII
F226V6K88Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3BETA, 5ALPHA-TETRAHYDROSEGESTERONE ACETATE
Common Name English
((3S,8R,9R,10S,13S,14S,17R)-17-ACETYL-3-HYDROXY-13-METHYL-16-METHYLENE-1,2,3,4,5,6,7,8,9,10,11,12,14,15-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-17-YL) ACETATE
Systematic Name English
3.BETA., 5.ALPHA.-THNES
Common Name English
3.BETA., 5.ALPHA.-TETRAHYDRONESTORONE
Common Name English
(1R,3AS,3BR,5AS,7S,9AS,9BR,11AS)-1-ACETYL-7-HYDROXY-11A-METHYL-2-METHYLIDENE-HEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-1-YL ACETATE
Systematic Name English
3.BETA., 5.ALPHA.-TETRAHYDROSEGESTERONE ACETATE
Common Name English
SEGESTERONE ACETATE METABOLITE (3.BETA., 5.ALPHA.-TETRAHYDROSEGESTERONE ACETATE)
Common Name English
Code System Code Type Description
PUBCHEM
155804766
Created by admin on Sat Dec 16 15:07:03 GMT 2023 , Edited by admin on Sat Dec 16 15:07:03 GMT 2023
PRIMARY PUBCHEM
FDA UNII
F226V6K88Q
Created by admin on Sat Dec 16 15:07:03 GMT 2023 , Edited by admin on Sat Dec 16 15:07:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE