[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(morpholin-4-ylmethyl)benzoate hydrochloride

Systemtic Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(morpholin-4-ylmethyl)benzoate hydrochloride Openeye Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(morpholinomethyl)benzoate hydrochloride CAS Name: 3-(4-morpholinylmethyl)benzoic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-6-yl] ester hydrochloride IUPAC Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(morpholin-4-ylmethyl)benzoate hydrochloride Traditional Name: 3-(morpholinomethyl)benzoic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetoxy-10,10b-dihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] ester hydrochloride Formula: C34H48ClNO9 MolecularWeight: 650.19922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)OC(=O)C4=CC(=CC=C4)CN5CCOCC5.Cl

Isomeric SMILES

CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)OC(=O)C4=CC(=CC=C4)CN5CCOCC5.Cl

InChI

InChI=1S/C34H47NO9.ClH/c1-8-31(5)19-25(38)34(40)32(6)24(37)12-13-30(3,4)27(32)26(28(42-21(2)36)33(34,7)44-31)43-29(39)23-11-9-10-22(18-23)20-35-14-16-41-17-15-35;/h8-11,18,24,26-28,37,40H,1,12-17,19-20H2,2-7H3;1H/t24-,26-,27-,28-,31-,32-,33+,34-;/m0./s1