25-HYDROXYVITAMIN D3 3.BETA.-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O5S
Molecular Weight	480.7
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 25-HYDROXYVITAMIN D3 3.BETA.-SULFATE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@H](CCC3=C)OS(O)(=O)=O)[C@H](C)CCCC(C)(C)O

InChI

InChIKey=ABCWYYHMKLOVPI-DTOXIADCSA-N

InChI=1S/C27H44O5S/c1-19-10-13-23(32-33(29,30)31)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)28/h11-12,20,23-25,28H,1,6-10,13-18H2,2-5H3,(H,29,30,31)/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O5S
Molecular Weight	480.7
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:34:09 UTC 2023` Edited by `admin` on `Sat Dec 16 15:34:09 UTC 2023`
Record UNII	EU2GIU96Q7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

25-HYDROXYVITAMIN D3 3.BETA.-SULFATE

Common Name

English

25OHD3-S

Common Name

English

1H-INDENE-1-PENTANOL, OCTAHYDRO-.ALPHA.,.ALPHA.,.EPSILON.,7A-TETRAMETHYL-4-((2Z)-2-((5S)-2-METHYLENE-5-(SULFOOXY)CYCLOHEXYLIDENE)ETHYLIDENE)-, (.EPSILON.R,1R,3AS,4E,7AR)-

Systematic Name

English

(.EPSILON.R,1R,3AS,4E,7AR)-OCTAHYDRO-.ALPHA.,.ALPHA.,.EPSILON.,7A-TETRAMETHYL-4-((2Z)-2-((5S)-2-METHYLENE-5-(SULFOOXY)CYCLOHEXYLIDENE)ETHYLIDENE)-1H-INDENE-1-PENTANOL

Systematic Name

English

25OHD3-3-O-SULFATE

Common Name

English

25-HYDROXYVITAMIN D3 3-SULFATE

Common Name

English

Code System Code Type Description

CAS

99447-30-0

Created by admin on Sat Dec 16 15:34:09 UTC 2023 , Edited by admin on Sat Dec 16 15:34:09 UTC 2023

PRIMARY

PUBCHEM

20839185

Created by admin on Sat Dec 16 15:34:09 UTC 2023 , Edited by admin on Sat Dec 16 15:34:09 UTC 2023

PRIMARY

FDA UNII

EU2GIU96Q7

Created by admin on Sat Dec 16 15:34:09 UTC 2023 , Edited by admin on Sat Dec 16 15:34:09 UTC 2023

PRIMARY

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