(3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-[(1R,4E)-1-oxidanyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-[(1R,4E)-1-oxidanyl-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-[(1R,4E)-1-hydroxy-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-[(1R,4E)-1-hydroxy-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-(1H-pyridin-2-ylidene)pentyl]-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)-5-[(1R,4E)-1-hydroxy-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(1R,4E)-1-hydroxy-5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-(1H-pyridin-2-ylidene)pentyl]-4-methylol-2-propyl-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C45H52N2O6Si MolecularWeight: 744.98968

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2CC(=C(C(C2C1=O)CO)C(CCC(=C3C=CC=CN3)C=C4C=CC(=O)C=C4)O)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C

Isomeric SMILES

CCCN1C(=O)[C@@H]2CC(=C([C@@H]([C@@H]2C1=O)CO)[C@@H](CC/C(=C\3/C=CC=CN3)/C=C4C=CC(=O)C=C4)O)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C

InChI

InChI=1S/C45H52N2O6Si/c1-5-26-47-43(51)37-28-33(30-53-54(45(2,3)4,35-14-8-6-9-15-35)36-16-10-7-11-17-36)41(38(29-48)42(37)44(47)52)40(50)24-21-32(39-18-12-13-25-46-39)27-31-19-22-34(49)23-20-31/h6-20,22-23,25,27,37-38,40,42,46,48,50H,5,21,24,26,28-30H2,1-4H3/b39-32+/t37-,38+,40-,42-/m1/s1