[2-[[3-ethenyl-3,4a,7,7,10a-pentamethyl-5,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl]oxy]-2-oxidanylidene-ethyl] 2-azanylethanoate hydrochloride

Systemtic Name: [2-[[3-ethenyl-3,4a,7,7,10a-pentamethyl-5,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl]oxy]-2-oxidanylidene-ethyl] 2-azanylethanoate hydrochloride Openeye Name: [2-[(5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl)oxy]-2-oxo-ethyl] 2-aminoacetate hydrochloride CAS Name: 2-aminoacetic acid [2-[(3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-6-yl)oxy]-2-oxoethyl] ester hydrochloride IUPAC Name: [2-[(3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl)oxy]-2-oxoethyl] 2-aminoacetate hydrochloride Traditional Name: 2-aminoacetic acid [2-[(5,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl)oxy]-2-keto-ethyl] ester hydrochloride Formula: C24H38ClNO9 MolecularWeight: 520.01282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)O)OC(=O)COC(=O)CN)C)O)C.Cl

Isomeric SMILES

CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)O)OC(=O)COC(=O)CN)C)O)C.Cl

InChI

InChI=1S/C24H37NO9.ClH/c1-7-21(4)10-14(27)24(31)22(5)13(26)8-9-20(2,3)18(22)17(19(30)23(24,6)34-21)33-16(29)12-32-15(28)11-25;/h7,13,17-19,26,30-31H,1,8-12,25H2,2-6H3;1H