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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 of ISOVITAMIN D2

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

Approval Year

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