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Chemical structure of Jervinone

GC71938

Jervinone

Also known as (3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,5,6,6a,6b,7,8,11a-octahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3,11-dione

Jervinone is a metabolite of the Veratrum alkaloid, which can be isolated from the mold Cunninghamella echinulata

ChemicalCAS469-60-3MW423.59FormulaC27H37NO3
CAS number
469-60-3
Molecular weight
423.59
Formula
C27H37NO3
InChIKey
KLTPAUQDYRELPI-WKWNSBFHSA-N
Catalogue number
GC71938
Brand
GLPBIO
Computed properties PubChem CID 637157 · XLogP 2.9 · TPSA 55.4 Ų · H-bond donors 1
XLogP
2.9
TPSA
55.4 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
31

SMILES C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5C(=O)C4=C3C)C)C)NC1

Computed descriptors from PubChem (CID 637157), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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