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

Systemtic Name: methyl (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-butanoyloxy-2,2,6a,6b,9,9,12a-heptamethyl-5-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Openeye Name: methyl (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-butanoyloxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate CAS Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(1-oxobutoxy)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-butanoyloxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Traditional Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-butyryloxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester Formula: C35H56O5 MolecularWeight: 556.81614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CC(C5(C4CC(CC5)(C)C)C(=O)OC)O)C)C)C

Isomeric SMILES

CCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@@H]4CC(CC5)(C)C)C(=O)OC)O)C)C)C

InChI

InChI=1S/C35H56O5/c1-10-11-28(37)40-27-15-16-32(6)24(31(27,4)5)14-17-33(7)25(32)13-12-22-23-20-30(2,3)18-19-35(23,29(38)39-9)26(36)21-34(22,33)8/h12,23-27,36H,10-11,13-21H2,1-9H3/t23-,24+,25-,26-,27+,32+,33-,34-,35-/m1/s1