ISOVITAMIN D2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H44O
Molecular Weight	396.6484
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C3/C[C@@H](O)CC=C3C

InChI

InChIKey=FCMWDJYLKCTYIU-VLOQVYPSSA-N

InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-13,19-20,22,25-27,29H,7-8,14-18H2,1-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H44O
Molecular Weight	396.6484
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:12:20 GMT 2025` Edited by `admin` on `Mon Mar 31 21:12:20 GMT 2025`
Record UNII	ST6N4V7CGC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOVITAMIN D2

Common Name

English

(5E)-ISOVITAMIN D2

Preferred Name

English

(1S,5E)-4-METHYL-5-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-7A-METHYL-1-((1R,2E,4R)-1,4,5-TRIMETHYL-2-HEXEN-1-YL)-4H-INDEN-4-YLIDENE)ETHYLIDENE)-3-CYCLOHEXEN-1-OL

Systematic Name

English

3-CYCLOHEXEN-1-OL, 4-METHYL-5-((2E)-2-((1R,3AS,7AR)-OCTAHYDRO-7A-METHYL-1-((1R,2E,4R)-1,4,5-TRIMETHYL-2-HEXEN-1-YL)-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1S,5E)-

Systematic Name

English

9,10-SECOERGOSTA-1(10),5,7,22-TETRAEN-3-OL, (3.BETA.,5E,7E,22E)-

Systematic Name

English

(1S,5E)-5-((2E)-2-((1R,3AS,7AR)-7A-METHYL-1-((E,1R,4R)-1,4,5-TRIMETHYLHEX-2-ENYL)-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYL-CYCLOHEX-3-EN-1-OL

Systematic Name

English

ISOVITAMIN-D2

Common Name

English

Code System Code Type Description

PUBCHEM

9547233

Created by admin on Mon Mar 31 21:12:20 GMT 2025 , Edited by admin on Mon Mar 31 21:12:20 GMT 2025

PRIMARY

CAS

51744-67-3

Created by admin on Mon Mar 31 21:12:20 GMT 2025 , Edited by admin on Mon Mar 31 21:12:20 GMT 2025

PRIMARY

FDA UNII

ST6N4V7CGC

Created by admin on Mon Mar 31 21:12:20 GMT 2025 , Edited by admin on Mon Mar 31 21:12:20 GMT 2025

PRIMARY