Basic information
- CAS
17334-55-3- Standard SMILES
CC1CCC=C2CCC3C(C3(C)C)C21C- InChIKey
MBIPADCEHSKJDQ-UHFFFAOYSA-N- Molecular formula
- C15H24
- Average molar mass
- 204.35 g/mol
- Monoisotopic mass
- 204.18780077
Overview
1(10)-Aristolene is a sesquiterpenoid. It derives from a hydride of an aristolane.
Names & identifiers
- Preferred name
- Calarene
- IUPAC
- 1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene
Names & synonyms
CALARENE1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa(a)naphthaleneRefChem:1227101(10)-Aristolene.beta.-GurjuneneAristol-1(10)-ene.delta.1(10)-Aristolene.delta.-Aristol-1(10)-ene1(10)-Aristolene, (+)-(+)-.delta.1(10)-AristoleneEINECS 241-359-5
Show more names
SCHEMBL2513685DTXSID40938358CHEBI:167398(1aR,7R,7aR,7bS)-1,1,7,7a-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[a]naphthalene1,1,7,7a-Tetramethyl-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[a]naphthalene(1AR-(1aalpha,7alpha,7aalpha,7balpha))-1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-1H-cyclopropa(a)naphthaleneNS00051198G89120
Database identifiers
- CAS
17334-55-3- PubChem CID
- 28481
- DTXSID
DTXSID40938358- ChEBI
CHEBI:167398- Nikkaji
- J1.842.724I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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