Description
IUPAC Name: [(1R,2R,3R,4S,5R,6R,7R,10R,15S)-6-acetyloxy-13-ethyl-3,5,15-trihydroxy-11-methyl-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-5-yl]methyl benzoate
InChI: InChI=1S/C31H43NO7/c1-4-32-16-28(3)13-12-23(34)30(17-32)22(28)11-15-29-14-10-21(24(35)25(29)30)31(37,27(29)39-19(2)33)18-38-26(36)20-8-6-5-7-9-20/h5-9,21-25,27,34-35,37H,4,10-18H2,1-3H3/t21-,22+,23-,24-,25+,27+,28?,29-,30-,31-/m0/s1
InChIKey: XNEDEYYIWURZGN-JKIMNVFXSA-N
Canonical SMILES: CCN1CC2(CCC(C3(C1)C2CCC45C3C(C(CC4)C(C5OC(=O)C)(COC(=O)C6=CC=CC=C6)O)O)O)C
Isomeric SMILES: CCN1C[C@@]23[C@H](CC[C@]45[C@H]2[C@H]([C@H](CC4)[C@]([C@@H]5OC(=O)C)(COC(=O)C6=CC=CC=C6)O)O)C(C1)(CC[C@@H]3O)C
Synonyms: Aconicarchamine B; 1275535-67-5; DA-60778; E80535
Botanical Source: