N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide
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Grundinformationen
- CAS
159934-15-3- Standard-SMILES
CC(=O)N[C@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC4=NCCC4=C(C)C)CC[C@@H]32)[C@H]1O- InChIKey
QUNQBOZYERAKAG-XOQCADQBSA-N- Summenformel
- C31H48N2O2
- Durchschnittliche Molmasse
- 480,7 g/mol
- Monoisotopische Masse
- 480,37157878
Überblick
N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide has been reported in Corticium with data available.
Namen und Bezeichner
- Bevorzugter Name
- N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide
- IUPAC
- N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide
- Englischer Name
- N-[(3S,4R,5S,9R,10R,13S,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-( 3-propan-2-ylidene-4,5-dihydropyrrol-2-yl)propan-2-yl]-2,3,4,5,6,9,11, 12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide
- Summenformel
- C31H48N2O2
- Molmasse
- 480.73
Namen und Synonyme
N-[(3S,4R,5S,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamideorb1696394AKOS040752653N-[(3S,4R,5R,9R,10R,13R,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamideHY-125429T32848lokysterolamine BN-Acetyl-4beta-hydroxy-epi-plakinamine AAcetamide, N-[(3β,4β,5α,20R)-21-[3,4-dihydro-4-(1-methylethylidene)-2H-pyrrol-5-yl]-4-hydroxy-20-methylpregn-7-en-3-yl]- (9CI)N-[(3S,4R,5S,9R,10R,13S,14R,17R)-4-hydroxy-10,13-dimethyl-17-[(2R)-1-( 3-propan-2-ylidene-4,5-dihydropyrrol-2-yl)propan-2-yl]-2,3,4,5,6,9,11, 12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetamide
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 61,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 959
Physikochemische Eigenschaften
- Siedepunkt
- 637.4 · 637.4±55.0 °C(Predicted)
- Dichte
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 14.35 · 14.35±0.70(Predicted)
Zugehörige Reaktionen
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