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Chemical structure of Monascuspiloin

GC48676

Monascuspiloin

Also known as (3S,3aR,9aR)-3-[(1S)-1-hydroxyhexyl]-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrofuro[3,2-g]isochromene-2,9-dione

A fungal metabolite with anticancer activity

ChemicalCAS1011244-19-1MW360.4FormulaC21H28O5
CAS number
1011244-19-1
Molecular weight
360.4
Formula
C21H28O5
InChIKey
GNZJIIUXMNGZCY-IRHWDSGUSA-N
Catalogue number
GC48676
Brand
GLPBIO
Computed properties PubChem CID 46913629 · XLogP 3.6 · TPSA 72.8 Ų · H-bond donors 1
XLogP
3.6
TPSA
72.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26

SMILES CCCCC[C@@H]([C@@H]1[C@H]2CC3=C(COC(=C3)/C=C/C)C(=O)[C@@]2(OC1=O)C)O

Computed descriptors from PubChem (CID 46913629), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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