methyl (2S,4aS,6R,7R,8R,8aS)-2-(4-bromophenyl)-4-[10-[(2R,3S,4S,5S,6S)-4-(dimethylamino)-3,4,6-trimethyl-5-oxidanyl-oxan-2-yl]-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-oxidanyl-4,7,12-tris(oxidanylidene)naphtho[2,3-h]chromen-6-yl]-8-methoxy-6-methyl-7-oxidanyl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxine-4-carboxylate

Systemtic Name: methyl (2S,4aS,6R,7R,8R,8aS)-2-(4-bromophenyl)-4-[10-[(2R,3S,4S,5S,6S)-4-(dimethylamino)-3,4,6-trimethyl-5-oxidanyl-oxan-2-yl]-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-oxidanyl-4,7,12-tris(oxidanylidene)naphtho[2,3-h]chromen-6-yl]-8-methoxy-6-methyl-7-oxidanyl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxine-4-carboxylate Openeye Name: methyl (2S,4aS,6R,7R,8R,8aS)-2-(4-bromophenyl)-4-[10-[(2R,3S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-3,4,6-trimethyl-tetrahydropyran-2-yl]-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-4,7,12-trioxo-naphtho[2,3-h]chromen-6-yl]-7-hydroxy-8-methoxy-6-methyl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxine-4-carboxylate CAS Name: (2S,4aS,6R,7R,8R,8aS)-2-(4-bromophenyl)-4-[10-[(2R,3S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-3,4,6-trimethyl-2-oxanyl]-2-[(2S,3S)-2,3-dimethyl-2-oxiranyl]-11-hydroxy-4,7,12-trioxo-6-naphtho[2,3-h][1]benzopyranyl]-7-hydroxy-8-methoxy-6-methyl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-4-carboxylic acid methyl ester IUPAC Name: methyl (2S,4aS,6R,7R,8R,8aS)-2-(4-bromophenyl)-4-[10-[(2R,3S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-3,4,6-trimethyloxan-2-yl]-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-4,7,12-trioxonaphtho[2,3-h]chromen-6-yl]-7-hydroxy-8-methoxy-6-methyl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxine-4-carboxylate Traditional Name: (2S,4aS,6R,7R,8R,8aS)-2-(4-bromophenyl)-4-[10-[(2R,3S,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-3,4,6-trimethyl-tetrahydropyran-2-yl]-2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-4,7,12-triketo-naphtho[2,3-h]chromen-6-yl]-7-hydroxy-8-methoxy-6-methyl-6,7,8,8a-tetrahydro-4aH-pyrano[3,2-d][1,3]dioxin-4-carboxylic acid methyl ester Formula: C48H52BrNO15 MolecularWeight: 962.82818

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C(C1(C)N(C)C)O)C)C2=C(C3=C(C=C2)C(=O)C4=C(C=C5C(=O)C=C(OC5=C4C3=O)C6(C(O6)C)C)C7(C8C(C(C(C(O8)C)O)OC)OC(O7)C9=CC=C(C=C9)Br)C(=O)OC)O

Isomeric SMILES

C[C@@H]1[C@@H](O[C@H]([C@H]([C@@]1(C)N(C)C)O)C)C2=C(C3=C(C=C2)C(=O)C4=C(C=C5C(=O)C=C(OC5=C4C3=O)[C@@]6([C@@H](O6)C)C)C7([C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)C)O)OC)O[C@@H](O7)C9=CC=C(C=C9)Br)C(=O)OC)O

InChI

InChI=1S/C48H52BrNO15/c1-19-38(60-21(3)42(56)46(19,5)50(7)8)26-16-15-25-31(36(26)54)37(55)33-32(35(25)53)28(17-27-29(51)18-30(62-39(27)33)47(6)22(4)64-47)48(45(57)59-10)43-41(40(58-9)34(52)20(2)61-43)63-44(65-48)23-11-13-24(49)14-12-23/h11-22,34,38,40-44,52,54,56H,1-10H3/t19-,20-,21+,22+,34-,38-,40-,41+,42-,43+,44+,46+,47+,48?/m1/s1