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

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

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 `Sat Dec 16 18:33:51 UTC 2023` Edited by `admin` on `Sat Dec 16 18:33:51 UTC 2023`
Record UNII	X43EU3CQ8P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Estradiol-3,17-diacetate

Common Name

English

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

Systematic Name

English

NSC-106559

Code

English

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

Systematic Name

English

Code System Code Type Description

NSC

106559