(1R,3S,10S,15S,16R,18S,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol
Grundinformationen
- Standard-SMILES
CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@@H]21- InChIKey
JZYNFCPCWFSNOL-AQPRZTTHSA-N- Summenformel
- C40H56O4
- Durchschnittliche Molmasse
- 600,9 g/mol
- Monoisotopische Masse
- 600,41786027
Überblick
(1R,3S,10S,15S,16R,18S,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol has been reported in Cryptomeria japonica with data available.
Namen und Bezeichner
- Bevorzugter Name
- (1R,3S,10S,15S,16R,18S,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol
- IUPAC
- (1R,3S,10S,15S,16R,18S,25S,30S)-10,14,14,25,29,29-hexamethyl-6,21-di(propan-2-yl)-2,17-dioxaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-4,6,8,19,21,23-hexaene-7,22-diol
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 10,9
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 44
- Formalladung
- 0
- Komplexität
- 997
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