butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropane-1-carboxylate

Systemtic Name: butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-oxidanyl-pent-2-enyl]cyclopropane-1-carboxylate Openeye Name: butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxy-4-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxy-pent-2-enyl]cyclopropanecarboxylate CAS Name: 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxy-4-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]-1-cyclopropanecarboxylic acid butyl ester IUPAC Name: butyl 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxy-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropane-1-carboxylate Traditional Name: 1-[(E,1R,4R)-4-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-dihydroxy-4-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-hydroxy-pent-2-enyl]cyclopropanecarboxylic acid butyl ester Formula: C32H48O5 MolecularWeight: 512.72052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CC1)C(C=CC(C)C2CCC3C2(CCCC3=CC=C4CC(C(=C)C(C4)O)O)C)O

Isomeric SMILES

CCCCOC(=O)C1(CC1)[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](C(=C)[C@@H](C4)O)O)C)O

InChI

InChI=1S/C32H48O5/c1-5-6-18-37-30(36)32(16-17-32)29(35)14-9-21(2)25-12-13-26-24(8-7-15-31(25,26)4)11-10-23-19-27(33)22(3)28(34)20-23/h9-11,14,21,25-29,33-35H,3,5-8,12-13,15-20H2,1-2,4H3/b14-9+,24-11+/t21-,25-,26+,27-,28-,29-,31-/m1/s1