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

Systemtic Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-(butylamino)ethanoate Openeye Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-(butylamino)acetate CAS Name: 2-(butylamino)acetic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl] ester IUPAC Name: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 2-(butylamino)acetate Traditional Name: 2-(butylamino)acetic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-6,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] ester Formula: C26H43NO7 MolecularWeight: 481.62212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O

Isomeric SMILES

CCCCNCC(=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)O

InChI

InChI=1S/C26H43NO7/c1-8-10-13-27-15-18(30)33-21-19(31)20-22(3,4)12-11-16(28)24(20,6)26(32)17(29)14-23(5,9-2)34-25(21,26)7/h9,16,19-21,27-28,31-32H,2,8,10-15H2,1,3-7H3/t16-,19-,20-,21-,23-,24-,25+,26-/m0/s1