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Details

Stereochemistry EPIMERIC
Molecular Formula C24H36O3
Molecular Weight 372.5408
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.ALPHA.-(2-METHYLALLYL)-4-ESTRENE-3,17.BETA.-DIOL-3-ACETATE

SMILES

[H][C@@]12CC[C@@](O)(CC(C)=C)[C@@]1(C)CC[C@]3([H])[C@@]4([H])CCC(OC(C)=O)C=C4CC[C@@]23[H]

InChI

InChIKey=ASDZQTBGZNGTLJ-JFOCUGCMSA-N
InChI=1S/C24H36O3/c1-15(2)14-24(26)12-10-22-21-7-5-17-13-18(27-16(3)25)6-8-19(17)20(21)9-11-23(22,24)4/h13,18-22,26H,1,5-12,14H2,2-4H3/t18?,19-,20+,21+,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H36O3
Molecular Weight 372.5408
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:45:02 GMT 2023
Edited
by admin
on Sat Dec 16 13:45:02 GMT 2023
Record UNII
IUL2UWP3IZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.ALPHA.-(2-METHYLALLYL)-4-ESTRENE-3,17.BETA.-DIOL-3-ACETATE
Systematic Name English
ESTR-4-ENE-3,17-DIOL, 17-(2-METHYL-2-PROPENYL)-, 3-ACETATE, (17.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
IUL2UWP3IZ
Created by admin on Sat Dec 16 13:45:02 GMT 2023 , Edited by admin on Sat Dec 16 13:45:02 GMT 2023
PRIMARY
PUBCHEM
137321722
Created by admin on Sat Dec 16 13:45:02 GMT 2023 , Edited by admin on Sat Dec 16 13:45:02 GMT 2023
PRIMARY
CAS
773785-70-9
Created by admin on Sat Dec 16 13:45:02 GMT 2023 , Edited by admin on Sat Dec 16 13:45:02 GMT 2023
PRIMARY