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Chemical structure of Lupenone

GC36494

Lupenone

Also known as (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one

Lupenone, isolated from Rhizoma Musae, belongs to lupane type triterpenoids

ChemicalCAS1617-70-5MW424.7FormulaC30H48O
CAS number
1617-70-5
Molecular weight
424.7
Formula
C30H48O
Solubility
Ethanol: 3·33 mg/mL (7·84 mM)
InChIKey
GRBHNQFQFHLCHO-BHMAJAPKSA-N
Catalogue number
GC36494
Brand
GLPBIO
Computed properties PubChem CID 92158 · XLogP 9.6 · TPSA 17.1 Ų · H-bond donors 0
XLogP
9.6
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
31

SMILES CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C

Computed descriptors from PubChem (CID 92158), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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