7-Deacetyl-7-oxogedunin
Grundinformationen
- CAS
13072-74-7- Standard-SMILES
CC1(C)C(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321- InChIKey
PMISPNORJONCHB-UHFFFAOYSA-N- Summenformel
- C26H30O6
- Durchschnittliche Molmasse
- 438,5 g/mol
- Monoisotopische Masse
- 438,20423867
Überblick
7-Deacetoxy-7-oxogedunin has been reported in Swietenia mahagoni and Trichilia schomburgkii with data available.
Namen und Bezeichner
- Bevorzugter Name
- 7-Deacetyl-7-oxogedunin
- IUPAC
- 7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione
Namen und Synonyme
7-Deacetyl-7-oxogedunin13072-74-7Desacetoxy-oxo-7-gedunine7-Desacetoxy-7-oxogeduninNSC 3099087-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-ene-5,15,19-trione16,17-Seco-24-nor-5.alpha.,13.alpha.,14.beta.,17.alpha.-chola-1,20,22-trien-16-oic acid, 14,15.beta.:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-lactoneD-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo(9.8.0.02,4.02,8.012,17)nonadec-13-ene-5,15,19-trioneRefChem:10597316,17-Seco-24-nor-5alpha,13alpha,14beta,17alpha-chola-1,20,22-trien-16-oic acid, 14,15beta:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, delta-lactoneD-Homo-24-nor-17-oxachola-1,20,22-triene-3,7,16-dione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5alpha,13alpha,14beta,15beta,17aalpha)-
Weitere Namen anzeigen
16,17-Seco-24-nor-5alpha,13alpha,14beta,17alpha-chola-1,20,22-trien-16-oic acid, 14,15beta:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, delta-lactone (8CI)PMISPNORJONCHB-UHFFFAOYSA-N7-Oxo-7-deacetoxygedunin7-deacetoxy-7-oxogeduninNSC3099087-Oxodeacetoxydihydro-..-gedunolGEDUNIN, 7-KETOSCHEMBL20639417
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 86,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 967
Zugehörige Reaktionen
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