1?-Hydroxyprevitamin D2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H44O2
Molecular Weight	412.6478
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=TVRDOFYYUWHDKA-JWNDDEFXSA-N

InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h8-12,18-20,24-27,29-30H,7,13-17H2,1-6H3/b10-9+,12-11-/t19-,20+,24+,25+,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H44O2
Molecular Weight	412.6478
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:26:34 GMT 2025` Edited by `admin` on `Tue Apr 01 16:26:34 GMT 2025`
Record UNII	VF3T6WP6RU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1?,24(S)-Dihydroxyprevitamin D2

Preferred Name

English

1?-Hydroxyprevitamin D2

Common Name

English

(1R,3S)-5-[(1Z)-2-[(1R,3aR,7aR)-2,3,3a,6,7,7a-Hexahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-1H-inden-4-yl]ethenyl]-4-methyl-4-cyclohexene-1,3-diol

Systematic Name

English

4-Cyclohexene-1,3-diol, 5-[(1Z)-2-[(1R,3aR,7aR)-2,3,3a,6,7,7a-hexahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-1H-inden-4-yl]ethenyl]-4-methyl-, (1R,3S)-

Systematic Name

English

9,10-Secoergosta-5(10),6,8,22-tetraene-1,3-diol, (1?,3?,6Z,22E)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40857833

Created by admin on Tue Apr 01 16:26:34 GMT 2025 , Edited by admin on Tue Apr 01 16:26:34 GMT 2025

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FDA UNII

VF3T6WP6RU

Created by admin on Tue Apr 01 16:26:34 GMT 2025 , Edited by admin on Tue Apr 01 16:26:34 GMT 2025

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PUBCHEM

71749287

Created by admin on Tue Apr 01 16:26:34 GMT 2025 , Edited by admin on Tue Apr 01 16:26:34 GMT 2025

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CAS

127264-18-0

Created by admin on Tue Apr 01 16:26:34 GMT 2025 , Edited by admin on Tue Apr 01 16:26:34 GMT 2025

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