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Chemical structure of Bonducellpin D

GC61885

Bonducellpin D

Also known as [(1S,8S,11R,12S,13R,17S,18S,19R)-13,17-dihydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-12-yl] acetate

Bonducellpin D is a furanoditerpenoid lactone isolated from Caesalpinia minax

ChemicalCAS197781-85-4MW404.45FormulaC22H28O7
CAS number
197781-85-4
Molecular weight
404.45
Formula
C22H28O7
InChIKey
WIKUZWCBCFNRHH-ZCQRYNMDSA-N
Catalogue number
GC61885
Brand
GLPBIO
Computed properties PubChem CID 10835061 · XLogP 1.9 · TPSA 106 Ų · H-bond donors 2
XLogP
1.9
TPSA
106 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
29

SMILES CC(=O)O[C@H]1[C@H]2[C@@H]3[C@H](CC4=C([C@H]3C(=O)O2)C=CO4)[C@@]5([C@@]1(C(CC[C@@H]5O)(C)C)O)C

Computed descriptors from PubChem (CID 10835061), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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