prop-2-enyl (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-9-(phenylcarbonyloxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

Systemtic Name: prop-2-enyl (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-2,2,6a,6b,9,12a-hexamethyl-10-oxidanyl-9-(phenylcarbonyloxymethyl)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Openeye Name: allyl (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(benzoyloxymethyl)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate CAS Name: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(benzoyloxymethyl)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(benzoyloxymethyl)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate Traditional Name: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(benzoyloxymethyl)-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid allyl ester Formula: C40H56O5 MolecularWeight: 616.86964

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)COC(=O)C6=CC=CC=C6)O)C)C)C2C1)C)C(=O)OCC=C)C

Isomeric SMILES

C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OCC=C)C)C)(C)COC(=O)C6=CC=CC=C6)O

InChI

InChI=1S/C40H56O5/c1-8-24-44-34(43)40-22-20-35(2,3)25-29(40)28-14-15-31-36(4)18-17-32(41)37(5,26-45-33(42)27-12-10-9-11-13-27)30(36)16-19-39(31,7)38(28,6)21-23-40/h8-14,29-32,41H,1,15-26H2,2-7H3/t29-,30+,31+,32-,36-,37-,38+,39+,40-/m0/s1