Basic information
- CAS
21366-63-2- Standard SMILES
CCCCCc1cc(O)c2c(c1)OC1(C)CCC3C1C2C3(C)C- InChIKey
IGHTZQUIFGUJTG-UHFFFAOYSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Overview
cannabicyclol has been reported in Cannabis sativa with data available.
Names & identifiers
- Preferred name
- 1H-4-Oxabenzo(f)cyclobut(cd)inden-8-ol, 1a-alpha,2,3,3a,8b-alpha,8c-alpha-hexahydro-1,1,3a-trimethyl-6-pentyl-
- IUPAC
- 9,13,13-trimethyl-5-pentyl-8-oxatetracyclo[7.4.1.02,7.012,14]tetradeca-2,4,6-trien-3-ol
- English name
- cannabicyclol
- Molecular formula
- C21H30O2
- Molecular weight
- 314.46
Names & synonyms
(+/-)-CannabicyclolUNII-MP5WZK8M5USCHEMBL455022(+/-)-Cannabicyclol (CBL)CHEMBL154127IGHTZQUIFGUJTG-UHFFFAOYSA-NDTXSID301356075BDBM50663294EX-A10972(1aR-(1aalpha,3aalpha,8balpha,8calpha))-1a,2,3,3a,8b,8c-Hexahydro-1,1,3a-trimethyl-6-pentyl-1H-4-oxabenzo(f)cyclobut(cd)inden-8-ol1H-4-Oxabenzo(f)cyclobut(cd)inden-8-ol, 1a-alpha,2,3,3a,8b-alpha,8c-alpha-hexahydro-1,1,3a-trimethyl-6-pentyl-BC175207
Show more names
CannabipinolcannabicyclolCannabicyclol (CBL) 100 μg/mL in MethanolCannabicyclol (CBL) 1000 μg/mL in MethanolCannabicyclol (CBL) 100 μg/mL in AcetonitrileCannabicyclol (CBL) 1000 μg/mL in Acetonitrile(1aR)-1a,2,3,3a,8bβ,8cβ-Hexahydro-1,1,3aβ-trimethyl-6-pentyl-1H-4-oxa-benzo[f]cyclobut[cd]inden-8-ol1H-4-Oxabenzo[f]cyclobut[cd]inden-8-ol, 1a,2,3,3a,8b,8c-hexahydro-1,1,3a-trimethyl-6-pentyl-, (1aS,3aR,8bR,8cR)-
Q9079091,1,3a-Trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-8-ol #1H-4-Oxabenzo(f)cyclobut(cd)inden-8-ol, 1a-.alpha.,2,3,3a,8b-.alpha.,8c-.alpha.-hexahydro-1,1,3a-trimethyl-6-pentyl-1H-4-Oxabenzo[f]cyclobut[cd]inden-8-ol, 1a,2,3,3a,8b,8c-hexahydro-1,1,3a-trimethyl-6-pentyl-, [1aR-(1a.alpha.,3a.alpha.,8b.alpha.,8c.alpha.)]-67920-00-7
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 145 · 145-146 °C
- Boiling point
- 382.1 · 382.1±31.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 9.94 · 9.94±0.60(Predicted)
- FDA UNII
- 5 WZK8M5U · MP5WZK8M5U
Chemistry & industry
Suppliers6 total
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
济南岑奔医药科技有限公司14793566 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…