Basic information
- CAS
72236-32-9- Standard SMILES
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@](C)(O)[C@@H](O)[C@@H]21- InChIKey
TZGCTXUTNDNTTE-DYZHCLJRSA-N- Molecular formula
- C21H32O4
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.2300595
Overview
Cannabiripsol has been reported in Cannabis sativa with data available.
Names & identifiers
- Preferred name
- Cannabiripsol
- IUPAC
- (6aR,9S,10S,10aR)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,9,10-triol
- English name
- 6H-Dibenzo[b,d]pyran-1,9,10-triol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR,9S,10S,10aR)-
- Molecular formula
- C21H32O4
- Molecular weight
- 348.48
Names & synonyms
Cannabiripsol72236-32-94P2CG6T3K9(6aR,9S,10S,10aR)-9,10-DihydroxyhexahydrocannabinolDTXSID90222552(6aR,9S,10S,10aR)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-1,9,10-triol6H-Dibenzo(b,d)pyran-1,9,10-triol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR-(6aalpha,9beta,10alpha,10abeta))-(6aR,9S,10S,10aR)-6,6,9-trimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo(c)chromene-1,9,10-triolRefChem:123233DTXCID2014504373639-52-8CHEMBL3586111
Show more names
6H-Dibenzo[b,d]pyran-1,9,10-triol, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aR,9S,10S,10aR)-
4-(Chloromethyl)-2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctaneUNII-4P2CG6T3K9SCHEMBL13214151SCHEMBL29359302BDBM50092342(6aR,9S,10S,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran-1,9,10-triol(6AR,9S,10S,10AR)-6A,7,8,9,10,10A-HEXAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-6H-DIBENZO(B,D)PYRAN-1,9,10-TRIOL6H-DIBENZO(B,D)PYRAN-1,9,10-TRIOL, 6A,7,8,9,10,10A-HEXAHYDRO-6,6,9-TRIMETHYL-3-PENTYL-, (6AR,9S,10S,10AR)-
Database identifiers
- CAS
72236-32-9- PubChem CID
- 192007
- DTXSID
DTXSID90222552- ChEMBL
CHEMBL3586111- UNII
- 4P2CG6T3K9
- Nikkaji
- J641.915A
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 442.1 · 442.1±45.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- solubility
- 1 · Acetonitrile: Sparingly Soluble: 1-10 mg/mlChloroform: Slightly Soluble: 0.1-1 mg/ml
- pka
- 9.76 · 9.76±0.70(Predicted)
- FDA UNII
- 4 P2CG6T3K9 · 4P2CG6T3K9
Chemistry & industry
Applications
DescriptionCannabiripsol (Item No. 21728) is an analytical reference standard categorized as a phytocannabinoid.1,2 This product is intended for research and forensic applications. WARNING This product is not for human or veterinary use.
Suppliers1 total
Cayman Chemical Company[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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