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

Catalog ID
STL553160
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]2O)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 C38H51NO13 MW 729.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H51NO13/c1-9-39-17-35(18-45-5)24(49-19(2)40)15-25(46-6)37-23-16-36(51-20(3)41)32(50-34(44)22-13-11-10-12-14-22)26(23)38(52-21(4)42,31(43)33(36)48-8)27(30(37)39)28(47-7)29(35)37/h10-14,23-33,43H,9,15-18H2,1-8H3/t23?,24-,25+,26?,27+,28+,29?,30?,
InChIKey
NVRARSGXIJPRDK-WXQRTENUSA-N
Synonyms

((1~(S)4~(R)5~(R)6~(S)7~(S)8~(R)9~(R)13~(R)14~(R)16~(S)18~(R))5814triacetyloxy11ethyl7hydroxy61618trimethoxy13(methoxymethyl)11azahexacyclo(7721^(25)0^(110)0^(38)0^(1317))nonadecan4yl)benzoate
(3R4R6S6aS7R7aR8R9R10S11S11aR12R13R14S)8(benzoyloxy)1ethyl11hydroxy61013trimethoxy3(methoxymethyl)tetradecahydro1H36a12(epiethane(112)triyl)79methanonaphtho(23b)azocine4911atriyltriacetate
44660903
COC(C@@)12CN(CC)C3(C@)4((C@@H)2(C@@H)(OC)(C@@H)3(C@@)2((C@@H)3(C@H)4C(C@@)((C@@H)3OC(=O)c3ccccc3)((C@H)((C@@H)2O)OC)OC(=O)C)OC(=O)C)(C@H)(C(C@H)1OC(=O)C)OC
InChI=1SC38H51NO13c19391735(18455)24(4919(2)40)1525(466)37231636(5120(3)41)32(5034(44)22131110121422)26(23)38(5221(4)4231(43)33(36)488)27(30(37)39)28(477)29(35)37h1014233343H91518H218H3t23?2425+26?27+28+29?30?31+3233+35+3637+38m1s1
ZINC000252694647
ZINC000253487669

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Available files

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