ESTRIOL 3-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H24O6S
Molecular Weight	368.445
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZORQMBLUMWNJEQ-ZXXIGWHRSA-N

InChI=1S/C18H24O6S/c1-18-7-6-13-12-5-3-11(24-25(21,22)23)8-10(12)2-4-14(13)15(18)9-16(19)17(18)20/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13-,14-,15+,16-,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H24O6S
Molecular Weight	368.445
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 `Sat Dec 16 18:43:14 GMT 2023` Edited by `admin` on `Sat Dec 16 18:43:14 GMT 2023`
Record UNII	LZ7JHK6R2A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRIOL 3-SULFATE

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 3-(HYDROGEN SULFATE), (16.ALPHA.,17.BETA.)-

Common Name

English

((8R,9S,13S,14S,16R,17R)-16,17-DIHYDROXY-13-METHYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-3-YL)HYDROGENSULFATE

Systematic Name

English

ESTRIOL, 3-(HYDROGEN SULFATE)

Common Name

English

16.ALPHA.-HYDROXYESTRADIOL 3-SULFATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID50963999