7-Oxotyphasterol
Grundinformationen
- CAS
144071-55-6- Standard-SMILES
CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
LLFIMDUWAVPJEJ-AVWWTISCSA-N- Summenformel
- C28H48O5
- Durchschnittliche Molmasse
- 464,7 g/mol
- Monoisotopische Masse
- 464,35017463
Überblick
7-oxatyphasterol is a brassinosteroid that is brassinolide in which the hydroxy group at position 2 has been replaced by a hydrogen atom. It has a role as a plant growth stimulator, a plant hormone, a mammalian metabolite and a plant metabolite. It is a brassinosteroid, a 3alpha-hydroxy steroid, a 22-hydroxy steroid and a 23-hydroxy steroid.
Namen und Bezeichner
- Bevorzugter Name
- 7-Oxotyphasterol
- IUPAC
- (1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
Namen und Synonyme
7-oxotyphasterol3alpha,22R,23R-trihydroxy-6,7-seco-5alpha-campestano-6,7-lactone144071-55-6CHEBI:185407DTXSID301099514LMST01140003(1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8-hydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one(1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0(2,7).0(12,16)]octadecan-8-one(3aS,5R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
Datenbank-Bezeichner
- CAS
144071-55-6- PubChem CID
- 14153907
- DTXSID
DTXSID301099514- ChEBI
CHEBI:185407- Nikkaji
- J491.112A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 723
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Brassinolides and derivatives [ST0114]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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