(-)-Inophyllum P
Grundinformationen
- CAS
65025-62-9- Standard-SMILES
C[C@H]1[C@H](C)Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@H]1O)OC(C)(C)C=C3- InChIKey
BXENDTPSKAICGV-RXSFTSLZSA-N- Summenformel
- C25H24O5
- Durchschnittliche Molmasse
- 404,5 g/mol
- Monoisotopische Masse
- 404,16237386
Namen und Bezeichner
- Bevorzugter Name
- (-)-Inophyllum P
- IUPAC
- (16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
- Englischer Name
- soulattrolide
- Summenformel
- C25H24O5
- Molmasse
- 404.46
Namen und Synonyme
Soulattrolide65025-62-9CHEBI:66516DTXSID60215355(10alpha,11beta,12beta)-(-)-11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-2H,6H,10H-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one(16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaen-4-one(-)-Inophyllum PRefChem:905559DTXCID60137846CHEMBL46677311,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-2,6,10-benzotripyran-2-one
Weitere Namen anzeigen
2H,6H,10H-Benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-, (10S,11R,12S)- (9CI)
hydroxy-tetramethyl-phenyl-[?]one(10s,11r,12s)-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-2h,6h,10h-dipyrano[2,3-f:2',3'-h]chromen-2-oneorb2814950BXENDTPSKAICGV-RXSFTSLZSA-NBDBM50292362T202761Q27135123(10S,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-2H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 65 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 749
Physikochemische Eigenschaften
- Schmelzpunkt
- 177 · 177-181 °C
- Siedepunkt
- 564.7 · 564.7±50.0 °C(Predicted)
- Dichte
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.70(Predicted)
- LogP
- 5.58 · 5.580 (est)
Chemie und Industrie
Anbieter1 Anbieter
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A member of the class of coumarins that is 11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-one substituted by a phenyl group at position 4, methyl groups at positio s 6, 6, 10 and 11 and a hydroxy group at position 12 (the 10S,11R,12S stereoisomer). Isolated from Calophyllum brasiliense and Calophyllum soulattri, it exhibits anti-HIV activit .
Zugehörige Reaktionen
4
Notizen zur Verbindung
Wird geladen…