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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H40O4
Molecular Weight 440.6148
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL 3,17-DIVALERATE

SMILES

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

InChI

InChIKey=XCWCTQWBFLVNMT-RIWVVKKCSA-N
InChI=1S/C28H40O4/c1-4-6-8-26(29)31-20-11-13-21-19(18-20)10-12-23-22(21)16-17-28(3)24(23)14-15-25(28)32-27(30)9-7-5-2/h11,13,18,22-25H,4-10,12,14-17H2,1-3H3/t22-,23-,24+,25+,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ESTRADIOL 3,17-DIVALERATE
Common Name English
ESTRA-1,3,5(10)-TRIEN-3,17.BETA.-DIYL DIPENTANOATE
Systematic Name English
ESTRADIOL VALERATE IMPURITY E [EP IMPURITY]
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3,17-DIPENTANOATE
Common Name English
ESTRADIOL, DIVALERATE
Common Name English
Code System Code Type Description
PUBCHEM
14653382
Created by admin on Sat Dec 16 04:55:47 GMT 2023 , Edited by admin on Sat Dec 16 04:55:47 GMT 2023
PRIMARY
EPA CompTox
DTXSID90212372
Created by admin on Sat Dec 16 04:55:47 GMT 2023 , Edited by admin on Sat Dec 16 04:55:47 GMT 2023
PRIMARY
FDA UNII
EQ443E73KN
Created by admin on Sat Dec 16 04:55:47 GMT 2023 , Edited by admin on Sat Dec 16 04:55:47 GMT 2023
PRIMARY
CAS
63042-28-4
Created by admin on Sat Dec 16 04:55:47 GMT 2023 , Edited by admin on Sat Dec 16 04:55:47 GMT 2023
PRIMARY