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(7S,9Z,11S,12R,13R,14S,15R,19R,20S,21Z,23Z,32R)-2-hydroxy-28-iodo-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25,29,31-tetraoxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.1~4,7~.1~15,19~.0~5,30~]tritriaconta-1(30),2,4,9,21,23,27-heptaen-13-yl acetat

Catalog ID
STL558164
SMILES CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C/[C@@H]([C@H]2[C@H]([C@@H]([C@@H]([C@@H]([C@@H]1C)OC(=O)C)C)OC(C)(C)O2)C)C)/C)I

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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 C40H48INO12 MW 861.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H48INO12/c1-17-13-12-14-18(2)38(48)42-29-28(41)31(45)25-26(32(29)46)30(44)20(4)36-27(25)37(47)40(10,54-36)50-16-15-24(49-11)19(3)34(51-23(7)43)22(6)35-21(5)33(17)52-39(8,9)53-35/h12-17,19,21-22,24,33-35,44H,1-11H3,(H,42,48)/b13-12-,16-15-,18-1
InChIKey
JNDYGAVZZNFTTH-DGVIZQCWSA-N
Synonyms

((7~(S)9~(Z)11~(S)12~(R)13~(R)14~(S)15~(R)19~(R)20~(S)21~(Z)23~(Z)32~(R))2hydroxy28iodo11methoxy3712141717202432nonamethyl6252931tetraoxo8161833tetraoxa26azapentacyclo(25311^(47)1^(1519)0^(530))tritriaconta1(30)249212327heptaen13yl)acetate
(7S9Z11S12R13R14S15R19R20S21Z23Z32R)2hydroxy28iodo11methoxy3712141717202432nonamethyl6252931tetraoxo8161833tetraoxa26azapentacyclo(25311~47~1~1519~0~530~)tritriaconta1(30)249212327heptaen13ylacetat
43915152
CO(C@H)1C=CO(C@@)2(C)Oc3c(C2=O)c2C(=O)C(=C(C(=O)c2c(c3C)O)NC(=O)C(=CC=C(C@@H)((C@H)2(C@H)((C@@H)((C@@H)((C@@H)((C@@H)1C)OC(=O)C)C)OC(C)(C)O2)C)C)C)I
InChI=1SC40H48INO12c11713121418(2)38(48)422928(41)31(45)2526(32(29)46)30(44)20(4)3627(25)37(47)40(105436)50161524(4911)19(3)34(5123(7)43)22(6)3521(5)33(17)5239(89)5335h121719212224333544H111H3(H4248)b131216151814t1719+21+22+2433+34+35+40m0s1
ZINC001772491119

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Available files

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