Isorubijervine

(1S,2R,7S,10R,11S,14R,15R,16S,17R,20S,23S)-14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

Also Known As: Isorubijervine|iso-rubijervine|ISORUBIJERVINE [MI]|Solanid-5-ene-3beta,18-diol|Solanid-5-ene-3.beta.,18-diol|Solanid-5-ene-3,18-diol, (3beta)-|Solanid-5-ene-3,18-diol, (3.beta.)-|Solanid-5-ene-3,18-diol, (3|A)-|Solanid-5-ene-3,18-diol, (3beta)-(9CI)|(1S,2R,7S,10R,11S,14R,15R,16S,17R,20S,23S)-14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol|(1S,2R,7S,10R,11S,14R,15R,16S,17R,20S,23S)-14-(hydroxymethyl)-10,16,20-trimethyl-22-azahexacyclo(12.10.0.02,11.05,10.015,23.017,22)tetracos-4-en-7-ol

Molecular Formula	C27H43NO2
Molecular Weight	413.32938 g/mol
LogP	4.63
Topological Polar Surface Area	43.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	413.32938
Heavy Atoms	30
Complexity	734.4

Chemical Identifiers

CAS Number	468-45-1
SMILES	C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)CO)C