2,25-Dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione
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Grundinformationen
- CAS
60137-06-6- Standard-SMILES
C[C@@H]1C(=O)C[C@@H](C(C)(C)O)O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]3(C)[C@@H]12- InChIKey
MBYLRWSUZLFUTO-PQNVQGKDSA-N- Summenformel
- C30H42O6
- Durchschnittliche Molmasse
- 498,66 g/mol
- Monoisotopische Masse
- 498,29813906
Namen und Bezeichner
- Bevorzugter Name
- 2,25-Dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione
- IUPAC
- (4R,24S)-2,25-Dihydroxy-9alpha,10,14-trimethyl-8beta,16alpha,17alpha-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione
- Englischer Name
- cucurbitacins
- Summenformel
- C30H42O6
- Molmasse
- 498.65
Namen und Synonyme
cucuritacin IIa(4R,9beta,16alpha,24S)-2,25-dihydroxy-9,10,14-trimethyl-16,2...(10α,24S)-16α,24-Epoxy-2,25-dihydroxy-9β-methyl-19-norlanosta-1,5-diene-3,11,22-trione19-Norlanosta-1,5-diene-3,11,22-trione, 16,24-epoxy-2,25-dihydroxy-9-methyl-, (9β,10α,16α,24S)-19-Norlanosta-1,5-diene-3,11,22-trione, 16,24-epoxy-2,25-dihydroxy-9-methyl-, (9beta,10alpha,16alpha,24S)-
Datenbank-Bezeichner
- CAS
60137-06-6- PubChem CID
- 119287
- DTXSID
DTXSID80975565- ChEBI
CHEBI:3953- Nikkaji
- J18.056D
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 650.7 · 650.7±55.0 °C(Predicted)
- Dichte
- 1.22 · 1.22±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 8.54 · 8.54±0.70(Predicted)
- InChIKey
- MBYLRWSUZLFUTO-KVGMNSNVNA-N
- SMILES
- C1(O)=C[C@@]2([H])[C@@]3(C(=O)C[C@@]4([C@H]5[C@H](C)C(=O)C[C@@H](C(C)(C)O)O[C@@H]5C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O)C)C |&1:3,5,9,10,11,16,22,24,26,r|
Chemie und Industrie
Anwendungen
VerwendenCucurbitacin S is a biochemical compound from the family of Cucurbitacins. Cucurbitacins are known for their anti-inflammatory, anti-tumor and anti-oxidant efects. In the wild, watermelons, cucumbers, and muskmelons produce bitter Cucurbitacins to defend against preditors. Humans have bred these fruits to eliminate these compounds thereby yielding fruits that are more appealing to our palate.
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