Estradiol-3,17-diacetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H28O4
Molecular Weight	356.4553
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=VQHQLBARMFAKSV-AANPDWTMSA-N

InChI=1S/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H28O4
Molecular Weight	356.4553
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 11:35:08 GMT 2025` Edited by `admin` on `Wed Apr 02 11:35:08 GMT 2025`
Record UNII	X43EU3CQ8P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Estradiol-3,17-diacetate

Common Name

English

NSC-106559

Preferred Name

English

Estra-1,3,5(10)-triene-3,17-diol (17?)-, diacetate

Systematic Name

English

Estra-1,3,5(10)-triene-3,17-diol (17?)-, 3,17-diacetate

Systematic Name

English

Code System Code Type Description

NSC

106559