Grundinformationen
- Standard-SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)NCCCCCC(=O)NC(CO)CO)CCC4(C)C3CCC12C- InChIKey
WVIXSZMOXPCBSL-UHFFFAOYSA-N- Summenformel
- C37H64N2O5
- Durchschnittliche Molmasse
- 616,9 g/mol
Namen und Bezeichner
- Bevorzugter Name
- [5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
- IUPAC
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[6-(1,3-dihydroxypropan-2-ylamino)-6-oxohexyl]carbamate
Namen und Synonyme
SCHEMBL3422824WVIXSZMOXPCBSL-UHFFFAOYSA-N[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]-carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester[5-(2-Hydroxy-1-hydroxymethyl-ethylcarbamoyl)-pentyl]carbamic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester
Datenbank-Bezeichner
- PubChem CID
- 68636631
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8
- Polarare Oberfläche (TPSA)
- 108 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 44
- Formalladung
- 0
- Komplexität
- 979
Zugehörige Reaktionen
4
Verknüpfte Notizen
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