methyl (1R,12R,19S)-12-ethyl-14-[(1R,12R,15S,19S)-12-ethyl-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaen-15-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate

Voafrine B · [7,8'-Biaspidospermidine]-3,3'-dicarboxylic acid, 2,2',3,3',6,6',7,7'-octadehydro-, 3,3'-dimethyl ester, (5α,12R,19α)-(5'α,8'α,12'R,19'α)-

https://huagongshe.com/de/chemical/178782883

Molekülstruktur von methyl (1R,12R,19S)-12-ethyl-14-[(1R,12R,15S,19S)-12-ethyl-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaen-15-yl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate

Identifikatoren & physikalische Daten

CAS No.	88824-28-6
Summenformel	C42H46N4O4
Durchschnittliche Molmasse	670,8 g/mol
SMILES	CC[C@]12C=C([C@@H]3C=C[C@@]4(CC)CC(C(=O)OC)=C5Nc6ccccc6[C@@]56CCN3[C@@H]46)CN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32
InChIKey	UAMRAMXGKGINMS-MRKSVKKXSA-N

Chemische & physikalische Eigenschaften

XLogP	6,1
Polarare Oberfläche (TPSA)	83,1
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	7
Schwere Atome	50
Formalladung	0
Komplexität	1.650