(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-[1-(phenylmethyl)piperidin-4-yl]-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-[1-(phenylmethyl)piperidin-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4R,7aR)-2-(1-benzyl-4-piperidyl)-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]-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-[1-(phenylmethyl)-4-piperidinyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4R,7aR)-2-(1-benzylpiperidin-4-yl)-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]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4R,7aR)-2-(1-benzyl-4-piperidyl)-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-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C54H61N3O6Si MolecularWeight: 876.16414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3=C(C(C4C(C3)C(=O)N(C4=O)C5CCN(CC5)CC6=CC=CC=C6)CO)C(CCC(=C7C=CC=CN7)C=C8C=CC(=O)C=C8)O

Isomeric SMILES

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3=C([C@@H]([C@H]4[C@@H](C3)C(=O)N(C4=O)C5CCN(CC5)CC6=CC=CC=C6)CO)[C@@H](CC/C(=C\7/C=CC=CN7)/C=C8C=CC(=O)C=C8)O

InChI

InChI=1S/C54H61N3O6Si/c1-54(2,3)64(44-17-9-5-10-18-44,45-19-11-6-12-20-45)63-37-41-34-46-51(53(62)57(52(46)61)42-28-31-56(32-29-42)35-39-15-7-4-8-16-39)47(36-58)50(41)49(60)27-24-40(48-21-13-14-30-55-48)33-38-22-25-43(59)26-23-38/h4-23,25-26,30,33,42,46-47,49,51,55,58,60H,24,27-29,31-32,34-37H2,1-3H3/b48-40+/t46-,47+,49-,51-/m1/s1