1-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))-
Grundinformationen
- CAS
40522-81-4- Standard-SMILES
CC1(O)C=C[C@@](C)(C2(C)CC[C@@H](O)[C@@]23CO3)CC1- InChIKey
UNKZRHRAZRDEOM-RSFISVRASA-N- Summenformel
- C15H24O3
- Durchschnittliche Molmasse
- 252,35 g/mol
- Monoisotopische Masse
- 252,17254462
Überblick
1-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))- has been reported in Fusarium sporotrichioides with data available.
Namen und Bezeichner
- Bevorzugter Name
- 1-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))-
- IUPAC
- (3S,7R)-4-[(1S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptan-7-ol
Namen und Synonyme
DTXSID101935381-Oxaspiro(2.4)heptan-4-ol, 7-(4-hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-, (3S-(3alpha,4beta,7beta(1R*,4S*)))-RefChem:1056169DTXCID50116029(3S,7R)-4-((1S)-4-hydroxy-1,4-dimethylcyclohex-2-en-1-yl)-4-methyl-1-oxaspiro(2.4)heptan-7-olUNII-5DKB6A2U8X(3S-(3alpha,4beta,7beta(1R*,4S*)))-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro(2.4)heptan-4-ol7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro(2.4)heptan-4-ol (3S-(3alpha,4beta,7beta(1R*,4S*)))-(3S,4R)-7-[(1S)-4-Hydroxy-1,4-dimethylcyclohex-2-en-1-yl]-7-methyl-1-oxaspiro[2.4]heptan-4-ol
Datenbank-Bezeichner
- CAS
40522-81-4- PubChem CID
- 56842929
- DTXSID
DTXSID10193538
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 53 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 407
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