methyl (2S)-2-[[(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]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(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]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(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]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(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]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(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]-4-methylpentanoate Traditional Name: (2S)-2-[[(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]-4-methyl-valeric acid methyl ester Formula: C37H59NO4 MolecularWeight: 581.86866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C12CCC(C=C1C3CCC4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@@]12CC[C@@]3([C@@H](C1=CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C

InChI

InChI=1S/C37H59NO4/c1-23(2)21-26(30(40)42-10)38-31(41)37-19-17-32(3,4)22-25(37)24-11-12-28-34(7)15-14-29(39)33(5,6)27(34)13-16-36(28,9)35(24,8)18-20-37/h22-24,26-28H,11-21H2,1-10H3,(H,38,41)/t24-,26+,27+,28-,34+,35-,36-,37+/m1/s1