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Chemical structure of Verrucarin J

GC71872

Verrucarin J

Also known as (1S,12E,18E,20Z,24R,25R,26S)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione

Verrucarin J (Muconomycin B) is a metabolite of the Myrothecium fungus family

ChemicalCAS4643-58-7MW484.54FormulaC27H32O8
CAS number
4643-58-7
Molecular weight
484.54
Formula
C27H32O8
InChIKey
GXCGYHWSYNQVHU-QQHFTZFOSA-N
Catalogue number
GC71872
Brand
GLPBIO
Computed properties PubChem CID 11968045 · XLogP 2.5 · TPSA 101 Ų · H-bond donors 0
XLogP
2.5
TPSA
101 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
0
Heavy atoms
35

SMILES CC1=CC2C3(CC1)COC(=O)/C=C(/CCOC(=O)/C=C/C=C\C(=O)O[C@H]4[C@@]3([C@]5(CO5)[C@H](C4)O2)C)\C

Computed descriptors from PubChem (CID 11968045), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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