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methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-10a-methoxycarbonyl-6-methyl-5-(oxan-2-yloxy)-1,9-bis(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-2-yl]-3-methyl-4-(oxan-2-yloxy)-8,9-bis(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate

methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-10a-methoxycarbonyl-6-methyl-5-(oxan-2-yloxy)-1,9-bis(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-2-yl]-3-methyl-4-(oxan-2-yloxy)-8,9-bis(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate

Systemtic Name:methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-10a-methoxycarbonyl-6-methyl-5-(oxan-2-yloxy)-1,9-bis(oxidanyl)-8-oxidanylidene-6,7-dihydro-5H-xanthen-2-yl]-3-methyl-4-(oxan-2-yloxy)-8,9-bis(oxidanyl)-1-oxidanylidene-3,4-dihydro-2H-xanthene-4a-carboxylate
Openeye Name:methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-1,9-dihydroxy-10a-methoxycarbonyl-6-methyl-8-oxo-5-tetrahydropyran-2-yloxy-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-3-methyl-1-oxo-4-tetrahydropyran-2-yloxy-3,4-dihydro-2H-xanthene-4a-carboxylate
CAS Name:(3S,4R,4aR)-7-[(5R,6S,10aR)-1,9-dihydroxy-10a-methoxycarbonyl-6-methyl-5-(2-oxanyloxy)-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-3-methyl-4-(2-oxanyloxy)-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester
IUPAC Name:methyl (3S,4R,4aR)-7-[(5R,6S,10aR)-1,9-dihydroxy-10a-methoxycarbonyl-6-methyl-5-(oxan-2-yloxy)-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-3-methyl-4-(oxan-2-yloxy)-1-oxo-3,4-dihydro-2H-xanthene-4a-carboxylate
Traditional Name:(3S,4R,4aR)-7-[(5R,6S,10aR)-10a-carbomethoxy-1,9-dihydroxy-8-keto-6-methyl-5-tetrahydropyran-2-yloxy-6,7-dihydro-5H-xanthen-2-yl]-8,9-dihydroxy-1-keto-3-methyl-4-tetrahydropyran-2-yloxy-3,4-dihydro-2H-xanthene-4a-carboxylic acid methyl ester
Formula: C42H46O16
MolecularWeight: 806.80504
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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)OC7CCCCO7)C(=O)OC)O)OC2(C1OC8CCCCO8)C(=O)OC)O


Isomeric SMILES

C[C@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)O[C@]6([C@@H]([C@H](CC(=O)C6=C5O)C)OC7CCCCO7)C(=O)OC)O)O[C@]2([C@@H]1OC8CCCCO8)C(=O)OC)O


InChI

InChI=1S/C42H46O16/c1-19-17-23(43)31-35(47)29-25(57-41(31,39(49)51-3)37(19)55-27-9-5-7-15-53-27)13-11-21(33(29)45)22-12-14-26-30(34(22)46)36(48)32-24(44)18-20(2)38(42(32,58-26)40(50)52-4)56-28-10-6-8-16-54-28/h11-14,19-20,27-28,37-38,45-48H,5-10,15-18H2,1-4H3/t19-,20-,27?,28?,37+,38+,41+,42+/m0/s1


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