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Chemical structure of 2-Desoxy-4-epi-pulchellin

GC68514

2-Desoxy-4-epi-pulchellin

Also known as (3aS,5R,5aS,8S,8aS,9aR)-8-hydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

2-Deoxy-4-epi-pulchellin (compound 13) is a compound isolated from the dichloromethane-soluble fraction of Polygonum hydropiper

ChemicalCAS122872-03-1MW250.33FormulaC15H22O3
CAS number
122872-03-1
Molecular weight
250.33
Formula
C15H22O3
InChIKey
BOPADYWRUULRBD-MBICNOSFSA-N
Catalogue number
GC68514
Brand
GLPBIO
Computed properties PubChem CID 10399864 · XLogP 2.7 · TPSA 46.5 Ų · H-bond donors 1
XLogP
2.7
TPSA
46.5 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18

SMILES C[C@@H]1C[C@H]2[C@H](C[C@]3([C@H]1CC[C@@H]3O)C)C(=C)C(=O)O2

Computed descriptors from PubChem (CID 10399864), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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