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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-[3-(2-oxoazepan-1-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551900
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCCN1CCCCCC1=O

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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 C39H52N2O10 MW 708.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H52N2O10/c1-25-13-11-16-28(42)15-8-5-7-14-26-21-30(43)36(37(46)35(26)39(47)51-25)29(27-22-31(48-2)38(50-4)32(23-27)49-3)24-33(44)40-18-12-20-41-19-10-6-9-17-34(41)45/h7,14,21-23,25,29,43,46H,5-6,8-13,15-20,24H2,1-4H3,(H,40,44)/b14-7+/t25-,29?/
InChIKey
FDMJDAUSLXINIV-TXEKNFFJSA-N
Synonyms

135640229
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(3(2oxoazepan1yl)propyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3(2oxoazepan1yl)propyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(3(2oxoazepan1yl)propyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCCN1CCCCCC1=O
InChI=1SC39H52N2O10c12513111628(42)1585714262130(43)36(37(46)35(26)39(47)5125)29(272231(482)38(504)32(2327)493)2433(44)40181220411910691734(41)45h714212325294346H56813152024H214H3(H4044)b147+t2529?m0s1
ZINC001547138679
ZINC001547138681

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Available files

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