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Chemical structure of Chevalone B

GC43236

Chevalone B

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

Chevalone B is a meroterpenoid originally isolated from the fungus E

ChemicalCAS1318025-75-0MW456.6FormulaC28H40O5
CAS number
1318025-75-0
Molecular weight
456.6
Formula
C28H40O5
Solubility
Soluble in DMSO
InChIKey
IRSLQXSSQAASGV-GPTGPEQGSA-N
Catalogue number
GC43236
Brand
GLPBIO
Computed properties PubChem CID 53475642 · XLogP 6.2 · TPSA 61.8 Ų · H-bond donors 0
XLogP
6.2
TPSA
61.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
33

SMILES CC1=CC2=C(C[C@H]3[C@@]4(CC[C@@H]5[C@@]([C@H]4CC[C@@]3(O2)C)(CC[C@@H](C5(C)C)OC(=O)C)C)C)C(=O)O1

Computed descriptors from PubChem (CID 53475642), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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