Basic information
- CAS
143605-57-6- Standard SMILES
CC[C@@H]1C[C@@H]2C(C)=C[C@@H]3CCCC[C@@H]3[C@@]2(C)C(=O)O1- InChIKey
DOVJKETUGTWKML-LVNYTYFRSA-N- Molecular formula
- C17H26O2
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.19328007
Overview
PI-200 is an organic heterotricyclic compound and an organooxygen compound.
Names & identifiers
- Preferred name
- PI 200
- IUPAC
- (3R,4aR,6aS,10aS,10bR)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one
- English name
- PI 200
- Molecular formula
- C17H26O2
- Molecular weight
- 262.38714
Names & synonyms
PI-200PI 200143605-57-6RefChem:929245(3R,4aR,6aS,10aS,10bR)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-oneSCHEMBL29474945DTXSID60931967CHEBI:204960(3R,4aR,6aS,10aS,10bR)-3-Ethyl-5,10b-dimethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-1H-naphtho[1,2-c]pyran-1-one1H-Naphtho(1,2-c)pyran-1-one, 3-ethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-5,10b-dimethyl-, (3alpha,4abeta,6abta,10abeta,10balpha)-(+)-3-Ethyl-5,10b-dimethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-1H-naphtho[1,2-c]pyran-1-one
Database identifiers
- CAS
143605-57-6- PubChem CID
- 126751
- DTXSID
DTXSID60931967- ChEBI
CHEBI:204960- Nikkaji
- J493.248J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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