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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-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552043
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCn1c(CO)nc2c1cccc2

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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 C40H47N3O10 MW 729.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H47N3O10/c1-24-11-10-14-27(45)13-7-5-6-12-25-19-31(46)37(38(48)36(25)40(49)53-24)28(26-20-32(50-2)39(52-4)33(21-26)51-3)22-35(47)41-17-18-43-30-16-9-8-15-29(30)42-34(43)23-44/h6,8-9,12,15-16,19-21,24,28,44,46,48H,5,7,10-11,13-14,17-18,22-23H2,
InChIKey
VSHDNMBGLRPQER-NXAKTBIXSA-N
Synonyms

135640346
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(2(hydroxymethyl)1Hbenzimidazol1yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(2(hydroxymethyl)benzimidazol1yl)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(2(hydroxymethyl)1Hbenzo(d)imidazol1yl)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)NCCn1c(CO)nc2c1cccc2
InChI=1SC40H47N3O10c12411101427(45)1375612251931(46)37(38(48)36(25)40(49)5324)28(262032(502)39(524)33(2126)513)2235(47)411718433016981529(30)4234(43)2344h68912151619212428444648H571011131417182223H214H3(H4147)b126+t2428?m0s1
ZINC001547138878
ZINC001547138883

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Available files

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