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Chemical structure of (+)-Rugulosin

GC18749

(+)-Rugulosin

Also known as 8,10,14,23,25,28-hexahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,10,19(24),20,22,25-octaene-3,12,18,27-tetrone

(+)-Rugulosin is a pigment and mycotoxin produced by certain fungi

ChemicalCAS23537-16-8MW542.5FormulaC30H22O10
CAS number
23537-16-8
Molecular weight
542.5
Formula
C30H22O10
Solubility
DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
QFDPVUTXKUGISP-UHFFFAOYSA-N
Catalogue number
GC18749
Brand
GLPBIO
Computed properties PubChem CID 62769 · XLogP 1 · TPSA 190 Ų · H-bond donors 6
XLogP
1
TPSA
190 Ų
H-bond donors
6
H-bond acceptors
10
Rotatable bonds
0
Heavy atoms
40

SMILES CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C(C5C3(C2=O)C6C(C5C47C(=C(C8=C(C7=O)C=C(C=C8O)C)O)C6=O)O)O)O

Computed descriptors from PubChem (CID 62769), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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