6-[(E)-[(4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-ylidene]amino]oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(E)-[(4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-ylidene]amino]oxy-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(E)-[(4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-ylidene]amino]oxy-6-oxo-hexanoic acid CAS Name: 6-[(E)-[(4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-ylidene]amino]oxy-6-oxohexanoic acid IUPAC Name: 6-[(E)-[(4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-ylidene]amino]oxy-6-oxohexanoic acid Traditional Name: 6-[(E)-[(4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carbomethoxy-4,4,6a,6b,11,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-ylidene]amino]oxy-6-keto-hexanoic acid Formula: C37H57NO6 MolecularWeight: 611.85158

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=NOC(=O)CCCCC(=O)O)C5(C)C)C)C)C2C1)C)C(=O)OC)C

Isomeric SMILES

C[C@]12CC/C(=N\OC(=O)CCCCC(=O)O)/C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C

InChI

InChI=1S/C37H57NO6/c1-32(2)19-21-37(31(42)43-8)22-20-35(6)24(25(37)23-32)13-14-27-34(5)17-16-28(33(3,4)26(34)15-18-36(27,35)7)38-44-30(41)12-10-9-11-29(39)40/h13,25-27H,9-12,14-23H2,1-8H3,(H,39,40)/b38-28+/t25-,26-,27+,34-,35+,36+,37-/m0/s1