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

Systemtic Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10-bis(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10b-yl] 3-(dimethylamino)propanoate hydrochloride Openeye Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetoxy-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10b-yl] 3-(dimethylamino)propanoate hydrochloride CAS Name: 3-(dimethylamino)propanoic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-10b-yl] ester hydrochloride IUPAC Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10b-yl] 3-(dimethylamino)propanoate hydrochloride Traditional Name: 3-(dimethylamino)propionic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetoxy-6,10-dihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10b-yl] ester hydrochloride Formula: C27H44ClNO8 MolecularWeight: 546.09316

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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)OC(=O)CCN(C)C)C)O)(C)C)O.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)OC(=O)CCN(C)C)C)O.Cl

InChI

InChI=1S/C27H43NO8.ClH/c1-10-24(5)15-18(31)27(35-19(32)12-14-28(8)9)25(6)17(30)11-13-23(3,4)21(25)20(33)22(34-16(2)29)26(27,7)36-24;/h10,17,20-22,30,33H,1,11-15H2,2-9H3;1H/t17-,20-,21-,22-,24-,25-,26+,27-;/m0./s1