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Chemical structure of 16-O-Methylcafestol

GC40395

16-O-Methylcafestol

Also known as [(1S,4S,12S,13R,16R,17R)-17-methoxy-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-yl]methanol

16-O-Methylcafestol is a diterpene that has been found in robusta (C

ChemicalCAS108214-28-4MW330.5FormulaC21H30O3
CAS number
108214-28-4
Molecular weight
330.5
Formula
C21H30O3
Solubility
DMF： 12 mg/mL,DMF：PBS (pH 7·2) (1：50)： 0·02 mg/mL,DMSO： 5 mg/mL,Ethanol： 5 mg/mL
InChIKey
BDVVNPOGDNWUOI-GVOJMRIRSA-N
Catalogue number
GC40395
Brand
GLPBIO
Computed properties PubChem CID 68103163 · XLogP 3.8 · TPSA 42.6 Ų · H-bond donors 1
XLogP
3.8
TPSA
42.6 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24

SMILES C[C@@]12CCC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)OC)C=CO3

Computed descriptors from PubChem (CID 68103163), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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