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Chemical structure of 5,6-trans-Vitamin D2

GC64613

5,6-trans-Vitamin D2

Also known as (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

5,6-trans-Vitamin D2 is the isomer of Vitamin D2

ChemicalCAS51744-66-2MW396.65FormulaC28H44O
CAS number
51744-66-2
Molecular weight
396.65
Formula
C28H44O
Solubility
DMSO ： 25 mg/mL (63·03 mM; Need ultrasonic)
InChIKey
MECHNRXZTMCUDQ-VLOQVYPSSA-N
Catalogue number
GC64613
Brand
GLPBIO
Computed properties PubChem CID 6536972 · XLogP 7.4 · TPSA 20.2 Ų · H-bond donors 1
XLogP
7.4
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
29

SMILES C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C

Computed descriptors from PubChem (CID 6536972), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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