[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] 2-(dimethylamino)ethanoate 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] 2-(dimethylamino)ethanoate 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] 2-(dimethylamino)acetate hydrochloride CAS Name: 2-(dimethylamino)acetic 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 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] 2-(dimethylamino)acetate hydrochloride Traditional Name: 2-(dimethylamino)acetic 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 hydrochloride Formula: C26H40ClNO8 MolecularWeight: 530.0507

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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)CN(C)C)C)O)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO8.ClH/c1-9-23(4)13-18(29)26(32)24(5)16(22(2,3)11-10-17(24)28)12-19(25(26,6)35-23)34-21(31)15-33-20(30)14-27(7)8;/h9,12,17,19,28,32H,1,10-11,13-15H2,2-8H3;1H