ETAMESTROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H34O5
Molecular Weight	534.6415
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]3([H])C4=C(C[C@@H](C)[C@@]23[H])C=C(OC(=O)C5=CC=CC=C5)C=C4OC(=O)C6=CC=CC=C6

InChI

InChIKey=FMEKKTLRKMEQKJ-RCJJHWPHSA-N

InChI=1S/C35H34O5/c1-4-35(38)18-16-28-30-22(2)19-25-20-26(39-32(36)23-11-7-5-8-12-23)21-29(31(25)27(30)15-17-34(28,35)3)40-33(37)24-13-9-6-10-14-24/h1,5-14,20-22,27-28,30,38H,15-19H2,2-3H3/t22-,27+,28+,30-,34+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H34O5
Molecular Weight	534.6415
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:10:58 GMT 2023` Edited by `admin` on `Fri Dec 15 16:10:58 GMT 2023`
Record UNII	VM88TV4OS5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETAMESTROL

Common Name

English

7.ALPHA.-METHYL-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-1,3,17-TRIOL 1,3-DIBENZOATE

Common Name

English

EPTAMESTROL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2181