Basic information
- CAS
30167-28-3- Standard SMILES
C=C1CC[C@@H]2[C@@](O)(C1)[C@H](C(C)C)CC[C@]2(C)O- InChIKey
AHNGXHRYFGQWSL-ZQDZILKHSA-N- Molecular formula
- C15H26O2
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.19328007
Overview
Calamendiol is a sesquiterpenoid.
Names & identifiers
- Preferred name
- Calamendiol
- IUPAC
- (1S,4S,4aR,8aS)-1-methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-diol
Names & synonyms
CalamendiolCalameone30167-28-3(1S,4S,4aR,8aS)-1-methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-diolRefChem:1080652Calameon6b,10b-Cadinene-6,10-diolSCHEMBL30600041DTXSID70952567CHEBI:1914436beta,10beta-Cadinene-6,10-diol1-Methyl-6-methylidene-4-(propan-2-yl)octahydronaphthalene-1,4a(2H)-diol
Show more names
(1S,4S,4aR,8aS)-1-Methyl-6-methylidene-4-(propan-2-yl)octahydronaphthalene-1,4a(2H)-diol(1S,6R,7S,10S)-7-isopropyl-10-methyl-4-methylenedecahydronaphthalene-6,10-diol
Database identifiers
- CAS
30167-28-3- PubChem CID
- 181982
- DTXSID
DTXSID70952567- ChEBI
CHEBI:191443- Nikkaji
- J18.027K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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