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(3R,4R,6S,6aS,8R,9R,10S,11S,11aR,12R,13R)-8-(benzoyloxy)-1-ethyl-6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-4,9,11,11a-tetrayl tetraacetate

Catalog ID
STL553217
SMILES COC[C@@]12CN(CC)C3[C@]4(C2[C@@H](OC)[C@H]3[C@@]2(C3C4C[C@@]([C@@H]3OC(=O)c3ccccc3)([C@H]([C@@H]2OC(=O)C)OC)OC(=O)C)OC(=O)C)[C@H](C[C@H]1OC(=O)C)OC

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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 C40H53NO14 MW 771.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H53NO14/c1-10-41-18-37(19-47-6)26(51-20(2)42)16-27(48-7)39-25-17-38(54-22(4)44)33(53-36(46)24-14-12-11-13-15-24)28(25)40(55-23(5)45,35(34(38)50-9)52-21(3)43)29(32(39)41)30(49-8)31(37)39/h11-15,25-35H,10,16-19H2,1-9H3/t25?,26-,27+,28?,29+,30+,3
InChIKey
OBOGIPHSFWTZPA-GZEMDPTJSA-N
Synonyms

((1~(S)4~(R)5~(R)6~(S)7~(S)8~(R)9~(R)13~(R)14~(R)16~(S)18~(R))57814tetraacetyloxy11ethyl61618trimethoxy13(methoxymethyl)11azahexacyclo(7721^(25)0^(110)0^(38)0^(1317))nonadecan4yl)benzoate
(3R4R6S6aS8R9R10S11S11aR12R13R)8(benzoyloxy)1ethyl61013trimethoxy3(methoxymethyl)tetradecahydro1H36a12(epiethane(112)triyl)79methanonaphtho(23b)azocine491111atetrayltetraacetate
16396560
COC(C@@)12CN(CC)C3(C@)4(C2(C@@H)(OC)(C@@H)3(C@@)2(C3C4C(C@@)((C@@H)3OC(=O)c3ccccc3)((C@H)((C@@H)2OC(=O)C)OC)OC(=O)C)OC(=O)C)(C@H)(C(C@H)1OC(=O)C)OC
InChI=1SC40H53NO14c110411837(19476)26(5120(2)42)1627(487)39251738(5422(4)44)33(5336(46)24141211131524)28(25)40(5523(5)4535(34(38)509)5221(3)43)29(32(39)41)30(498)31(37)39h11152535H101619H219H3t25?2627+28?29+30+31?32?3334+35+37+3839+40m1s1
ZINC000253394193
ZINC000253394195

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Available files

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