Epi-dihydrophaseic acid
Grundinformationen
- CAS
60102-38-7- Standard-SMILES
CC(=C/C(=O)O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@H](O)C2- InChIKey
XIVFQYWMMJWUCD-FJBUYRLMSA-N- Summenformel
- C15H22O5
- Durchschnittliche Molmasse
- 282,33 g/mol
- Monoisotopische Masse
- 282,1467238
Überblick
Epi-dihydrophaseic acid is a cyclic ether that is phaseic acid in which the keto group has been reduced to the corresponding alcohol such that the two hydroxy groups are on the same side of the 6-membered ring. It is a tertiary alcohol, a secondary alcohol, a 6-hydroxy monocarboxylic acid, a cyclic ether and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a phaseic acid.
Namen und Bezeichner
- Bevorzugter Name
- Epi-dihydrophaseic acid
- IUPAC
- (2Z,4E)-5-[(1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid
Namen und Synonyme
epi-dihydrophaseic acidCHEBI:23926(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid(2Z,4E)-5-[(1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoic acid60102-38-7(2Z,4E)-5-((1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo(3.2.1)oct-8-yl)-3-methylpenta-2,4-dienoic acid(2Z,4E)-5-((1R,3R,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo(3.2.1)octan-8-yl)-3-methylpenta-2,4-dienoic acidRefChem:137119SCHEMBL15021965DTXSID501314033LMPR0103050007Q27109823
Datenbank-Bezeichner
- CAS
60102-38-7- PubChem CID
- 11988273
- DTXSID
DTXSID501314033- ChEBI
CHEBI:23926- Nikkaji
- J330.633J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 483
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
Zugehörige Reaktionen
0
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Notizen zur Verbindung
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