[(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetoxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e]isobenzofuran-4-yl] acetate
Grundinformationen
- CAS
62008-04-2- Standard-SMILES
CC(=O)O[C@@H]1OC=C2C1[C@@]1(C)[C@H](O)C[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2OC(C)=O- InChIKey
GCGWIVLWDZJIGO-CFGFJSJZSA-N- Summenformel
- C30H46O6
- Durchschnittliche Molmasse
- 502,7 g/mol
- Monoisotopische Masse
- 502,32943918
Namen und Bezeichner
- Bevorzugter Name
- [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetoxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e]isobenzofuran-4-yl] acetate
- IUPAC
- [(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetyloxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-4-yl] acetate
Namen und Synonyme
NSC 369049[(1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetoxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-4,5,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e]isobenzofuran-4-yl] acetateAcetic acid, (1S,4S,5aS,5bR,7aS,11aS,11bR,13R,13aR)-1-acetoxy-13-hydroxy-5a,5b,8,8,11a,13a-hexamethyl-1,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a,13b-octadecahydro-2-oxa-cyclopenta[a]chrysen-4-yl esterD-Homoandrostano(17,17a-c)furan-5',12,16-triol, 5',17a-dihydro-4,4,8-trimethyl-, 5',16-diacetate, (5alpha,5'alpha,12beta,16beta,17aalpha)-
Datenbank-Bezeichner
- CAS
62008-04-2- PubChem CID
- 72943
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,1
- Polarare Oberfläche (TPSA)
- 82,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 986
Zugehörige Reaktionen
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