[2-[[3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl]oxy]-2-oxidanylidene-ethyl] 3-piperidin-1-ylpropanoate hydrate hydrochloride

Systemtic Name: [2-[[3-ethenyl-3,4a,7,7,10a-pentamethyl-10,10b-bis(oxidanyl)-1-oxidanylidene-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl]oxy]-2-oxidanylidene-ethyl] 3-piperidin-1-ylpropanoate hydrate hydrochloride Openeye Name: [2-[(10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl)oxy]-2-oxo-ethyl] 3-(1-piperidyl)propanoate hydrate hydrochloride CAS Name: 3-(1-piperidinyl)propanoic acid [2-[(3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,8,9,10-tetrahydro-2H-benzo[f][1]benzopyran-5-yl)oxy]-2-oxoethyl] ester hydrate hydrochloride IUPAC Name: [2-[(3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl)oxy]-2-oxoethyl] 3-piperidin-1-ylpropanoate hydrate hydrochloride Traditional Name: 3-piperidinopropionic acid [2-[(10,10b-dihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,8,9,10-tetrahydro-2H-benzo[f]chromen-5-yl)oxy]-2-keto-ethyl] ester hydrate hydrochloride Formula: C30H48ClNO9 MolecularWeight: 602.15642

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2(C1=CC(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)COC(=O)CCN4CCCCC4)C)O)C.O.Cl

Isomeric SMILES

CC1(CCC(C2(C1=CC(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)COC(=O)CCN4CCCCC4)C)O)C.O.Cl

InChI

InChI=1S/C30H45NO8.ClH.H2O/c1-7-27(4)18-22(33)30(36)28(5)20(26(2,3)13-11-21(28)32)17-23(29(30,6)39-27)38-25(35)19-37-24(34)12-16-31-14-9-8-10-15-31;;/h7,17,21,23,32,36H,1,8-16,18-19H2,2-6H3;1H;1H2