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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-(1H-indol-4-ylmethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552374
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1cccc2c1cc[nH]2

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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 C39H44N2O9 MW 684.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44N2O9/c1-23-10-8-14-27(42)13-7-5-6-11-24-18-31(43)36(37(45)35(24)39(46)50-23)29(26-19-32(47-2)38(49-4)33(20-26)48-3)21-34(44)41-22-25-12-9-15-30-28(25)16-17-40-30/h6,9,11-12,15-20,23,29,40,43,45H,5,7-8,10,13-14,21-22H2,1-4H3,(H,41,44)/b11-6+
InChIKey
HWVJTYHAXXRZMT-CVNGDTRXSA-N
Synonyms

135640620
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(1Hindol4ylmethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(1~(H)indol4ylmethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1cccc2c1cc(nH)2
InChI=1SC39H44N2O9c1231081427(42)1375611241831(43)36(37(45)35(24)39(46)5023)29(261932(472)38(494)33(2026)483)2134(44)412225129153028(25)16174030h69111215202329404345H5781013142122H214H3(H4144)b116+t2329?m0s1
N((1Hindol4yl)methyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138337
ZINC001547138338

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Available files

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