Pereniporin A
Basic information
- CAS
103244-42-4- Standard SMILES
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1CO[C@@H](O)[C@@]12O- InChIKey
FRWRTYDHUNFKOE-MIBAYGRRSA-N- Molecular formula
- C15H24O4
- Average molar mass
- 268.35 g/mol
- Monoisotopic mass
- 268.16745924
Overview
Pereniporin A has been reported in Perenniporia medulla-panis with data available.
Names & identifiers
- Preferred name
- Pereniporin A
- IUPAC
- (1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[g][2]benzofuran-1,5,9b-triol
- English name
- pereniporin A
- Molecular formula
- C15H24O4
- Molecular weight
- 268.35
Names & synonyms
Pereniporin A103244-42-4(1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[g][2]benzofuran-1,5,9b-triolNaphtho(1,2-c)furan-1,5,9b(1H)-triol, 3,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (1R-(1alpha,5beta,5aalpha,9abeta,9balpha))-(1R,5R,5aS,9aS,9bS)-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo(g)(2)benzofuran-1,5,9b-triolRefChem:171614DTXSID309082676,6,9a-Trimethyl-3,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1,5,9b(1H)-triol(1R,5R,5aS,9aS,9bS)-6,6,9a-Trimethyl-3,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-1,5,9b(1H)-triol(1R)-3,5,5aα,6,7,8,9,9a-Octahydro-6,6,9aβ-trimethyl-1H-naphtho[1,2-c]furan-1α,5β,9bα-triolNaphtho[1,2-c]furan-1,5,9b(1H)-triol, 3,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (1R,5R,5aS,9aS,9bS)-
Database identifiers
- CAS
103244-42-4- PubChem CID
- 128296
- DTXSID
DTXSID30908267- Nikkaji
- J128.646C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Melting point
- 170 · 170-172 °C(Solvent: Hexane; Diethyl ether)
- Boiling point
- 418.165 · 418.165±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.251 · 1.251±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.192 · 12.192±0.70(predicted)
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Related reactions
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Compound notes
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