Basic information
- CAS
85710-39-0- Standard SMILES
CC1CCC2C1C1C(CCC23CO3)C1(C)C- InChIKey
XPGWKKLDFXNBPJ-UHFFFAOYSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Overview
Aromadendrene epoxide is a sesquiterpenoid.
Names & identifiers
- Preferred name
- Npc125737
- IUPAC
- 1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,2'-oxirane]
- English name
- decahydro-1,1,7-trimethylspiro[4H-cycloprop[e]azulene-4,2'-oxirane]
- Molecular formula
- C15H24O
- Molecular weight
- 220.35046
Names & synonyms
RefChem:1092668Npc12573794020-95-81,1,7-trimethyldecahydrospiro[cyclopropa[e]azulene-4,2'-oxirane]EINECS 301-390-8Aromadendrene oxide 2Decahydro-1,1,7-trimethylspiro(4H-cycloprop(e)azulene-4,2'-oxirane)Aromadendrene oxideAromadendrene oxide-(1)1,1,7-trimethylspiro[2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene-4,2'-oxirane]10,14-EpoxyaromadendraneDTXSID40916691
Show more names
decahydro-1,1,7-trimethylspiro[4H-cycloprop[e]azulene-4,2'-oxirane]
CHEBI:195978NS00065714Q67879696
Database identifiers
- CAS
85710-39-0、94020-95-8- PubChem CID
- 528759
- DTXSID
DTXSID40916691- ChEBI
CHEBI:195978- EC Number
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 334
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- LogP
- 4.572 · 4.572 (est)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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