(phenylmethyl) N-[(1S,2S,3S,12aR)-7-methoxy-11-methyl-5,6-bis(oxidanyl)-4-oxidanylidene-2-phenylmethoxy-3-(phenylmethoxymethyl)-2,3,12,12a-tetrahydro-1H-tetracen-1-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(1S,2S,3S,12aR)-7-methoxy-11-methyl-5,6-bis(oxidanyl)-4-oxidanylidene-2-phenylmethoxy-3-(phenylmethoxymethyl)-2,3,12,12a-tetrahydro-1H-tetracen-1-yl]carbamate Openeye Name: benzyl N-[(1S,2S,3S,12aR)-2-benzyloxy-3-(benzyloxymethyl)-5,6-dihydroxy-7-methoxy-11-methyl-4-oxo-2,3,12,12a-tetrahydro-1H-tetracen-1-yl]carbamate CAS Name: N-[(1S,2S,3S,12aR)-5,6-dihydroxy-7-methoxy-11-methyl-4-oxo-2-phenylmethoxy-3-(phenylmethoxymethyl)-2,3,12,12a-tetrahydro-1H-tetracen-1-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(1S,2S,3S,12aR)-5,6-dihydroxy-7-methoxy-11-methyl-4-oxo-2-phenylmethoxy-3-(phenylmethoxymethyl)-2,3,12,12a-tetrahydro-1H-tetracen-1-yl]carbamate Traditional Name: N-[(1S,2S,3S,12aR)-2-benzoxy-3-(benzoxymethyl)-5,6-dihydroxy-4-keto-7-methoxy-11-methyl-2,3,12,12a-tetrahydro-1H-tetracen-1-yl]carbamic acid benzyl ester Formula: C43H41NO8 MolecularWeight: 699.78754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC3C(C(C(C(=O)C3=C(C2=C(C4=C1C=CC=C4OC)O)O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

Isomeric SMILES

CC1=C2C[C@H]3[C@@H]([C@H]([C@@H](C(=O)C3=C(C2=C(C4=C1C=CC=C4OC)O)O)COCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C43H41NO8/c1-26-30-19-12-20-34(49-2)35(30)40(46)36-31(26)21-32-37(41(36)47)39(45)33(25-50-22-27-13-6-3-7-14-27)42(51-23-28-15-8-4-9-16-28)38(32)44-43(48)52-24-29-17-10-5-11-18-29/h3-20,32-33,38,42,46-47H,21-25H2,1-2H3,(H,44,48)/t32-,33-,38+,42+/m1/s1