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3-[(3S,11E)-14,16-dihydroxy-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-15-yl]-N-{2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551845
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCc1onc(n1)c1ccco1

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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 C38H43N3O11 MW 717.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43N3O11/c1-22-10-8-13-25(42)12-7-5-6-11-23-18-27(43)34(35(45)33(23)38(46)51-22)26(24-19-29(47-2)36(49-4)30(20-24)48-3)21-31(44)39-16-15-32-40-37(41-52-32)28-14-9-17-50-28/h6,9,11,14,17-20,22,26,43,45H,5,7-8,10,12-13,15-16,21H2,1-4H3,(H,39,44)
InChIKey
SOBLUMDXLFUTAE-FICULBEYSA-N
Synonyms

135640181
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(3(furan2yl)124oxadiazol5yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(3(furan2yl)124oxadiazol5yl)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(3(furan2yl)124oxadiazol5yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCc1onc(n1)c1ccco1
InChI=1SC38H43N3O11c1221081325(42)1275611231827(43)34(35(45)33(23)38(46)5122)26(241929(472)36(494)30(2024)483)2131(44)391615324037(415232)28149175028h691114172022264345H578101213151621H214H3(H3944)b116+t2226?m0s1
ZINC001547139543
ZINC001547139544

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Available files

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