methyl 11-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanylidene-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picen-4a-yl]carbonylamino]undecanoate

Systemtic Name: methyl 11-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanylidene-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picen-4a-yl]carbonylamino]undecanoate Openeye Name: methyl 11-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carbonyl]amino]undecanoate CAS Name: 11-[[[(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picen-4a-yl]-oxomethyl]amino]undecanoic acid methyl ester IUPAC Name: methyl 11-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carbonyl]amino]undecanoate Traditional Name: 11-[[(4aS,6aR,6aR,6bR,8aR,12aR,14aS)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-4,5,6,6a,7,8,8a,11,12,13,14,14a-dodecahydro-3H-picene-4a-carbonyl]amino]undecanoic acid methyl ester Formula: C42H69NO4 MolecularWeight: 652.00156

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(C2=C1)CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)NCCCCCCCCCCC(=O)OC)C

Isomeric SMILES

C[C@@]12CC[C@]3(CCC(C=C3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)(C)C)C(=O)NCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C42H69NO4/c1-37(2)24-26-42(36(46)43-28-16-14-12-10-9-11-13-15-17-35(45)47-8)27-25-40(6)30(31(42)29-37)18-19-33-39(5)22-21-34(44)38(3,4)32(39)20-23-41(33,40)7/h29-30,32-33H,9-28H2,1-8H3,(H,43,46)/t30-,32+,33-,39+,40-,41-,42+/m1/s1