[(1S,2S,5S,6R,7R,9S,10S,18R)-9-Acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl]methyl acetate
Grundinformationen
- CAS
151519-46-9- Standard-SMILES
CC(=O)OC[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@@]1(C)COC(C)=O- InChIKey
NYQIGAQKWWREPH-MQMUQTNESA-N- Summenformel
- C32H39NO10
- Durchschnittliche Molmasse
- 597,7 g/mol
- Monoisotopische Masse
- 597,25739644
Überblick
CID 192541 has been reported in Aspergillus fumigatus with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(1S,2S,5S,6R,7R,9S,10S,18R)-9-Acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl]methyl acetate
- IUPAC
- [(1S,2S,5S,6R,7R,9S,10S,18R)-9-acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl]methyl acetate
- Englischer Name
- pyripyropene D
- Summenformel
- C32H39NO10
- Molmasse
- 597.65
Namen und Synonyme
SCHEMBL29711501DTXSID60934276[(1S,2S,5S,6R,7R,9S,10S,18R)-9-Acetyloxy-6-(acetyloxymethyl)-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl]methyl acetate[(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-6-(Acetyloxy)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,4-diyl]bis(methylene) diacetate[6-(Acetyloxy)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(pyridin-3-yl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-3,4-diyl]bis(methylene) diacetatepyripyropene D2H,11H-Naphtho[2,1-b]pyrano[3,4-e]pyran-11-one, 6-(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-3-[(1-oxopropoxy)methyl]-9-(3-pyridinyl)-, (3S,4R,4aR,6S,6aS,12R,12aS,12bS)-
Datenbank-Bezeichner
- CAS
151519-46-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 148 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 43
- Formalladung
- 0
- Komplexität
- 1.240
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