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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H44O5
Molecular Weight 484.6674
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRIOL DIHEXANOATE

SMILES

[H][C@@]12C[C@@H](O)[C@H](OC(=O)CCCCC)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC(=O)CCCCC)C=C4

InChI

InChIKey=ZOVABFBGAYSQTL-AECPDVIXSA-N
InChI=1S/C30H44O5/c1-4-6-8-10-27(32)34-21-13-15-22-20(18-21)12-14-24-23(22)16-17-30(3)25(24)19-26(31)29(30)35-28(33)11-9-7-5-2/h13,15,18,23-26,29,31H,4-12,14,16-17,19H2,1-3H3/t23-,24-,25+,26-,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H44O5
Molecular Weight 484.6674
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:31:28 UTC 2023
Edited
by admin
on Sat Dec 16 15:31:28 UTC 2023
Record UNII
J2K5XW8K72
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRIOL DIHEXANOATE
Common Name English
ESTRIOL 3,17.BETA.-DIHEXANOATE
Common Name English
ESTRIOL 3,17-DIHEXANOATE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3,17-DIHEXANOATE, (16.ALPHA.,17.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
128509
Created by admin on Sat Dec 16 15:31:28 UTC 2023 , Edited by admin on Sat Dec 16 15:31:28 UTC 2023
PRIMARY
CAS
104202-96-2
Created by admin on Sat Dec 16 15:31:28 UTC 2023 , Edited by admin on Sat Dec 16 15:31:28 UTC 2023
PRIMARY
WIKIPEDIA
Estriol dihexanoate
Created by admin on Sat Dec 16 15:31:28 UTC 2023 , Edited by admin on Sat Dec 16 15:31:28 UTC 2023
PRIMARY
FDA UNII
J2K5XW8K72
Created by admin on Sat Dec 16 15:31:28 UTC 2023 , Edited by admin on Sat Dec 16 15:31:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID90908869
Created by admin on Sat Dec 16 15:31:28 UTC 2023 , Edited by admin on Sat Dec 16 15:31:28 UTC 2023
PRIMARY