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Chemical structure of Tirucallol

GC63228

Tirucallol

Also known as 4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Tirucallol, a tetracyclic triterpene, is isolated from Euphorbia lacteal latex

ChemicalCAS514-46-5MW426.72FormulaC30H50O
CAS number
514-46-5
Molecular weight
426.72
Formula
C30H50O
InChIKey
CAHGCLMLTWQZNJ-UHFFFAOYSA-N
Catalogue number
GC63228
Brand
GLPBIO
Computed properties PubChem CID 856 · XLogP 8.9 · TPSA 20.2 Ų · H-bond donors 1
XLogP
8.9
TPSA
20.2 Ų
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
31

SMILES CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C

Computed descriptors from PubChem (CID 856), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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