ESTRADIOL DIBUTYRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H36O4
Molecular Weight	412.5616
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(OC(=O)CCC)=CC=C4[C@H]3CC[C@]12C

InChI

InChIKey=KCWOSNZFDYZBNP-IOCWQACJSA-N

InChI=1S/C26H36O4/c1-4-6-24(27)29-18-9-11-19-17(16-18)8-10-21-20(19)14-15-26(3)22(21)12-13-23(26)30-25(28)7-5-2/h9,11,16,20-23H,4-8,10,12-15H2,1-3H3/t20-,21-,22+,23+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H36O4
Molecular Weight	412.5616
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:53:38 GMT 2025` Edited by `admin` on `Wed Apr 02 09:53:38 GMT 2025`
Record UNII	VQZ6UH9WLR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRA-1,3,5(10)-TRIENE-3,17BETA-DIOL DIBUTYRATE

Preferred Name

English

ESTRADIOL DIBUTYRATE

Common Name

English

[(8R,9S,13S,14S,17S)-3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butanoate

Systematic Name

English

Code System Code Type Description

CAS

63042-23-9