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N-(1,3-benzodioxol-5-ylmethyl)-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]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551843
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1ccc2c(c1)OCO2

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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 C38H43NO11 MW 689.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H43NO11/c1-22-9-8-12-26(40)11-7-5-6-10-24-16-28(41)35(36(43)34(24)38(44)50-22)27(25-17-31(45-2)37(47-4)32(18-25)46-3)19-33(42)39-20-23-13-14-29-30(15-23)49-21-48-29/h6,10,13-18,22,27,41,43H,5,7-9,11-12,19-21H2,1-4H3,(H,39,42)/b10-6+/t22-,27?/m
InChIKey
MEDCNVIEMDNZFT-HYYGWCLVSA-N
Synonyms

~(N)(13benzodioxol5ylmethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640179
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1ccc2c(c1)OCO2
InChI=1SC38H43NO11c122981226(40)1175610241628(41)35(36(43)34(24)38(44)5022)27(251731(452)37(474)32(1825)463)1933(42)39202313142930(1523)49214829h610131822274143H57911121921H214H3(H3942)b106+t2227?m0s1
N(13benzodioxol5ylmethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N(benzo(d)(13)dioxol5ylmethyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138469
ZINC001547138471

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Available files

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