Basic information
- CAS
5956-43-4- Standard SMILES
C=C1C(=O)OC2CC3(C)C(CCC(O)[C@H]3O)C(=C)C12- InChIKey
IWAWLFYVPNEIRS-CNOYCBBQSA-N- Molecular formula
- C15H20O4
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.13615911
Overview
Ivasperine has been reported in Dinoseris salicifolia with data available.
Names & identifiers
- Preferred name
- Ivasperine
- IUPAC
- (8S)-7,8-dihydroxy-8a-methyl-3,4-dimethylidene-3a,4a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
- English name
- (3aR,4aα,9aα)-3a,4,4a,5,6,7,8,8a,9,9a-Decahydro-7α,8β-dihydroxy-8aβ-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
- Molecular formula
- C15H20O4
- Molecular weight
- 264.32
Names & synonyms
Ivasperine5956-43-4(8S)-7,8-dihydroxy-8a-methyl-3,4-dimethylidene-3a,4a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-oneNaphtho(2,3-b)furan-2(3H)-one, 3a-alpha,4,4a-alpha,5,6,7,8,8a,9a-alpha-decahydro-7-alpha,8-beta-dihydroxy-8a-beta-methyl-3,5-dimethylene-(8S)-7,8-dihydroxy-8a-methyl-3,4-dimethylidene-3a,4a,5,6,7,8,9,9a-octahydrobenzo(f)(1)benzofuran-2-oneRefChem:150239SCHEMBL31443206DTXSID90974968(8S)-7,8-Dihydroxy-8a-methyl-3,4-dimethylidenedecahydronaphtho[2,3-b]furan-2(3H)-one7,8-Dihydroxy-8a-methyl-3,4-dimethylidenedecahydronaphtho[2,3-b]furan-2(3H)-one(3aR,4aalpha,9aalpha)-3a,4,4a,5,6,7,8,8a,9,9a-Decahydro-7alpha,8beta-dihydroxy-8abeta-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-oneIvasperin
Show more names
Naphtho[2,3-b]furan-2(3H)-one, decahydro-7,8-dihydroxy-8a-methyl-3,5-bis(methylene)-, (3aR,4aS,7S,8S,8aR,9aR)-(3aR,4aα,9aα)-3a,4,4a,5,6,7,8,8a,9,9a-Decahydro-7α,8β-dihydroxy-8aβ-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 469
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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