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Chemical structure of Lumisterol3

GC61013

Lumisterol3

Also listed as Lumisterol 3 (>90%)

Lumisterol 3 (>90%) (9β,10α-Cholesta-5,7-dien-3β-ol) is a normal human secosterooid metabolite from the class of vitamin D3 photoisomer derivatives

ChemicalCAS5226-01-7MW384.64FormulaC27H44O
CAS number
5226-01-7
Molecular weight
384.64
Formula
C27H44O
Solubility
DMSO ： 2 mg/mL (5·20 mM; ultrasonic and warming and heat to 60°C)
InChIKey
UCTLRSWJYQTBFZ-XMVWLVNMSA-N
Catalogue number
GC61013
Brand
GLPBIO
Computed properties PubChem CID 111049 · XLogP 8 · TPSA 20.2 Ų · H-bond donors 1
XLogP
8
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
28

SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C

Computed descriptors from PubChem (CID 111049), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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