Stramonin-B
Basic information
- CAS
65179-88-6- Standard SMILES
CC1CCC2C(OC(=O)C23CO3)C2(C)C(=O)C=CC12- InChIKey
AYSAVJUPCHRCGO-UHFFFAOYSA-N- Molecular formula
- C15H18O4
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.12050905
Names & identifiers
- Preferred name
- Stramonin-B
- IUPAC
- 6,9a-dimethylspiro[3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-3,2'-oxirane]-2,9-dione
Names & synonyms
65179-88-6STRAMONIN-BDTXSID10983754NSC299544NSC 299544NSC-2995446,9a-Dimethyl-4,5,6,6a,9a,9b-hexahydro-2H-spiro[azuleno[4,5-b]furan-3,2'-oxirane]-2,9(3aH)-dioneSpiro(azuleno(4,5-b)furan-6(2H),2'-oxirane)-2,9(3H)-dione, 3a,4,5,6a,9a,9b-hexahydro-3,9a-dimethyl-Spiro[azuleno[4,2'-oxirane]-2,9(3aH)-dione, 4,5,6,6a,9a,9b-hexahydro-6,9a-dimethyl-, [3R-(3.alpha.,3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-
Database identifiers
- CAS
65179-88-6- PubChem CID
- 99976
- DTXSID
DTXSID10983754
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 510
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Related reactions
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Compound notes
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