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Chemical structure of Kanshone C

GC64364

Kanshone C

Also known as (1R,3S,6R,7R,8S,10R)-6,7,9,9-tetramethyl-2-oxatetracyclo[5.5.0.01,3.08,10]dodecane-11,12-dione

Kanshone C is a sesquiterpenoid of Nardostachys chinensis roots

ChemicalCAS117634-64-7MW248.32FormulaC15H20O3
CAS number
117634-64-7
Molecular weight
248.32
Formula
C15H20O3
Solubility
H2O ： 1 mg/mL (4·03 mM; Need ultrasonic and warming)
InChIKey
NGUGLLPTHUYIGI-CKRUZVNXSA-N
Catalogue number
GC64364
Brand
GLPBIO
Computed properties PubChem CID 15625237 · XLogP 2.1 · TPSA 46.7 Ų · H-bond donors 0
XLogP
2.1
TPSA
46.7 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18

SMILES C[C@@H]1CC[C@H]2[C@@]3([C@]1([C@H]4[C@H](C4(C)C)C(=O)C3=O)C)O2

Computed descriptors from PubChem (CID 15625237), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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