methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Systemtic Name: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Openeye Name: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetoxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate CAS Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetyloxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid methyl ester IUPAC Name: methyl (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetyloxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate Traditional Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetoxy-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid methyl ester Formula: C33H52O5 MolecularWeight: 528.76298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)OC(=O)C)C)C)C2C1C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C33H52O5/c1-19-12-15-33(28(36)37-9)17-16-31(7)22(26(33)20(19)2)10-11-25-30(6)18-23(38-21(3)34)27(35)29(4,5)24(30)13-14-32(25,31)8/h10,19-20,23-27,35H,11-18H2,1-9H3/t19-,20+,23-,24+,25-,26+,27+,30+,31-,32-,33+/m1/s1