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Chemical structure of Chevalone C

GC43237

Chevalone C

Also known as [(1R,2S,11S,14R,15R,18S,20R)-1,7,11,15,19,19-hexamethyl-5-oxo-8,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),6-dien-18-yl] acetate

Chevalone C is a meroterpenoid fungal metabolite originally isolated from E

ChemicalCAS1318025-77-2MW456.6FormulaC28H40O5
CAS number
1318025-77-2
Molecular weight
456.6
Formula
C28H40O5
Solubility
Soluble in DMSO
InChIKey
ASOIHOGDYISNRH-GPTGPEQGSA-N
Catalogue number
GC43237
Brand
GLPBIO
Computed properties PubChem CID 53474390 · XLogP 6 · TPSA 61.8 Ų · H-bond donors 0
XLogP
6
TPSA
61.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
33

SMILES CC1=CC(=O)C2=C(O1)O[C@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@H]3C2)C)(C)C)OC(=O)C)C)C

Computed descriptors from PubChem (CID 53474390), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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