ESTRADIOL 17-ACETATE 3-BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30O4
Molecular Weight	418.5247
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRADIOL 17-ACETATE 3-BENZOATE

Structure Search

SMILES

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

InChI

InChIKey=CRJBVQYNQZNAOQ-RYIFMDQWSA-N

InChI=1S/C27H30O4/c1-17(28)30-25-13-12-24-23-10-8-19-16-20(31-26(29)18-6-4-3-5-7-18)9-11-21(19)22(23)14-15-27(24,25)2/h3-7,9,11,16,22-25H,8,10,12-15H2,1-2H3/t22-,23-,24+,25+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H30O4
Molecular Weight	418.5247
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 06:50:04 GMT 2023` Edited by `admin` on `Sat Dec 16 06:50:04 GMT 2023`
Record UNII	T8X3S85D7Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRADIOL 17-ACETATE 3-BENZOATE

Common Name

English

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

Common Name

English

ESTRADIOL BENZOATE IMPURITY H [EP IMPURITY]

Common Name

English

ESTRADIOL, 17-ACETATE 3-BENZOATE

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

225-597-7