ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-BENZOATE 17-BUTANOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H34O4
Molecular Weight	446.5779
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-BENZOATE 17-BUTANOATE

Structure Search

SMILES

[H][C@@]12CC[C@H](OC(=O)CCC)[C@@]1(C)CC[C@]3([H])C4=CC=C(OC(=O)C5=CC=CC=C5)C=C4CC[C@@]23[H]

InChI

InChIKey=MKYFGNOOEKZNPW-ZRJUGLEFSA-N

InChI=1S/C29H34O4/c1-3-7-27(30)33-26-15-14-25-24-12-10-20-18-21(32-28(31)19-8-5-4-6-9-19)11-13-22(20)23(24)16-17-29(25,26)2/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H34O4
Molecular Weight	446.5779
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 `Sat Dec 16 15:41:36 UTC 2023` Edited by `admin` on `Sat Dec 16 15:41:36 UTC 2023`
Record UNII	ZE4IGI4UMH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3-BENZOATE 17-BUTANOATE

Systematic Name

English

ESTRADIOL BENZOATE BUTYRATE

Common Name

English

ESTRADIOL-3-BENZOATE-17-BUTYRATE

Common Name

English

BETA-ESTRADIOL 3-BENZOATE 17-N-BUTYRATE

Common Name

English

Code System Code Type Description

WIKIPEDIA

Estradiol_benzoate_butyrate