Cafestol

Description

Natural extract from coffee beans which induces glutathione S-transferase | CAS: 469-83-0 | C20H28O3 | 316.44 g/mol

Natural extract from coffee beans which induces glutathione S-transferase

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 469-83-0
• Molecular Formula: C20H28O3
• Molecular Weight (g/mol): 316.44
• MDL Number: MFCD01075769
• InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N
• Synonym: cafestol, cafesterol, ccris 1518, unii-ac465t6q6w, 5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs, 5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta, --cafestol, 1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol, 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
• PubChem CID: 108052
• ChEBI: CHEBI:3291
• 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
• SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3

• Melting Point: 156°C to 158°C
• Color: White
• Density: 1.23
• Quantity: 50 mg
• Merck Index: 14,1634
• Solubility Information: Soluble in dichlormethane, DMSO or ethanol
• Formula Weight: 316.44
• Physical Form: Powder
• Chemical Name or Material: Cafestol

Safety and Handling

RTECSNumber	PB9185090
TSCA	No
Recommended Storage	Store at -20°C

SDS

RUO – Research Use Only