ETHYNYLESTRADIOL 3-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24O5S
Molecular Weight	376.467
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
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(CC[C@@]23[H])C=C(OS(O)(=O)=O)C=C4

InChI

InChIKey=WLGIWVFFGMPRLM-SLHNCBLASA-N

InChI=1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H24O5S
Molecular Weight	376.467
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 `Thu Jul 06 14:16:42 UTC 2023` Edited by `admin` on `Thu Jul 06 14:16:42 UTC 2023`
Record UNII	67P0FM71OZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYNYLESTRADIOL 3-SULFATE

Common Name

English

ETHYNYLESTRADIOL SULFATE

Common Name

English

19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 3-(HYDROGEN SULFATE), (17.ALPHA.)-

Systematic Name

English

17.ALPHA.-ETHYNYLESTRADIOL 3-SULFATE

Common Name

English

Code System Code Type Description

FDA UNII

67P0FM71OZ