$60.00
| CAS No.: | 469-83-0 |
| Molecular Formula | C₂₀H₂₈O₃ |
| Molecular Weight | 316.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Terpenoids |
| Weight |
|---|
IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
InChI: InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
InChIKey: DNJVYWXIDISQRD-HWUKTEKMSA-N
Canonical SMILES: CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3
Isomeric SMILES: C[C@@]12CCC3=C([C@H]1CC[C@]45[C@H]2CC[C@H](C4)[C@](C5)(CO)O)C=CO3
Synonyms: cafestol; 469-83-0; cafesterol; CCRIS 1518; AC465T6Q6W; CHEBI:3291; Cafestol (>85%); (3bS,5aS,7R,8R,10aR,10bS)-7-(hydroxymethyl)-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta[5,6]naphtho[2,1-b]furan-7-ol; …
Botanical Source: Coffee Cherry
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