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(2S,12Z,14E,16S,17S,18R,19S,20S,21S,22R,23S,24E)-5-[(ethoxycarbonyl)oxy]-17,19-dihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,9,11-tetraoxo-1,2,6,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate

Catalog ID
STL529374
SMILES CCOC(=O)Oc1c(C)c2O[C@]3(C(=O)c2c2c1C(=O)C(=CC2=O)NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H](/C=C/O3)OC)C)OC(=O)C)C)O)C)/C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C40H49NO14 MW 767.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H49NO14/c1-11-51-39(49)54-35-23(7)36-30-28-26(43)17-25(33(46)29(28)35)41-38(48)19(3)14-12-13-18(2)31(44)21(5)32(45)22(6)34(53-24(8)42)20(4)27(50-10)15-16-52-40(9,55-36)37(30)47/h12-18,20-22,27,31-32,34,44-45H,11H2,1-10H3,(H,41,48)/b13-12+,16-1
InChIKey
WEKRKEBBFNVTEV-BYLQBDTLSA-N
Synonyms

((7~(S)9~(E)11~(S)12~(R)13~(S)14~(S)15~(S)16~(R)17~(S)18~(S)19~(E)21~(Z))2ethoxycarbonyloxy1517dihydroxy11methoxy371214161822heptamethyl6232729tetraoxo830dioxa24azatetracyclo(23311^(47)0^(528))triaconta135(28)9192125heptaen13yl)acetate
(2S12Z14E16S17S18R19S20S21S22R23S24E)5((ethoxycarbonyl)oxy)1719dihydroxy23methoxy241216182022heptamethyl16911tetraoxo1269tetrahydro27(epoxypentadeca(11113)trienoimino)naphtho(21b)furan21ylacetate
16404289
CCOC(=O)Oc1c(C)c2O(C@)3(C(=O)c2c2c1C(=O)C(=CC2=O)NC(=O)C(=CC=C(C@H)(C)(C@H)(O)(C@H)((C@@H)((C@@H)((C@@H)((C@@H)((C@H)(C=CO3)OC)C)OC(=O)C)C)O)C)C)C
InChI=1SC40H49NO14c1115139(49)543523(7)36302826(43)1725(33(46)29(28)35)4138(48)19(3)14121318(2)31(44)21(5)32(45)22(6)34(5324(8)42)20(4)27(5010)15165240(95536)37(30)47h12182022273132344445H11H2110H3(H4148)b1312+1615+1914t1820+21+2227313234+40m0s1
MFCD05725773
ZINC000254799238
ZINC85907539

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Available files

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