Description
IUPAC Name: [(1R,2S,3S,4R,5R,6R,8S,9S,13S,14S,17R,18S)-8-acetyloxy-11-ethyl-14-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
InChI: InChI=1S/C34H47NO9/c1-7-35-16-32(17-39-3)23(37)14-24(41-5)34-21-13-20-22(40-4)15-33(44-18(2)36,26(30(34)35)28(42-6)29(32)34)25(21)27(20)43-31(38)19-11-9-8-10-12-19/h8-12,20-30,37H,7,13-17H2,1-6H3/t20-,21+,22-,23+,24?,25+,26-,27-,28-,29+,30?,32-,33+,34-/m1/s1
InChIKey: YYJZWLOTQILZLS-BILIFICXSA-N
Canonical SMILES: CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC=CC=C7)OC)OC(=O)C)OC)OC)O)COC
Isomeric SMILES: CCN1C[C@]2([C@H](CC([C@]34[C@H]2[C@@H]([C@H](C31)[C@@]5(C[C@H]([C@H]6C[C@H]4[C@H]5[C@@H]6OC(=O)C7=CC=CC=C7)OC)OC(=O)C)OC)OC)O)COC
Synonyms: 77757-14-3; [(1R,2S,3S,4R,5R,6R,8S,9S,13S,14S,17R,18S)-8-Acetyloxy-11-ethyl-14-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Botanical Source: