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Chemical structure of 25-Hydroxytachysterol3

GC74164

25-Hydroxytachysterol3

Also known as 2-[(E)-2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-3-methylcyclohex-2-en-1-ol

25-droxytacsterol3 is the metabolite of Vitamin D3

ChemicalCAS39932-44-0MW400.64FormulaC27H44O2
CAS number
39932-44-0
Molecular weight
400.64
Formula
C27H44O2
InChIKey
REBCKWLPJGCBRY-GYDNJJFKSA-N
Catalogue number
GC74164
Brand
GLPBIO
Computed properties PubChem CID 53477886 · XLogP 5.8 · TPSA 40.5 Ų · H-bond donors 2
XLogP
5.8
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
29

SMILES CC1=C(C(CCC1)O)/C=C/C2=CCC[C@]3(C2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C

Computed descriptors from PubChem (CID 53477886), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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