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3-(1,3-benzodioxol-5-yl)-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-(3,4-dihydroxyphenyl)ethyl]propanamide

Catalog ID
STL562032
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccc(c(c1)O)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 C36H39NO10 MW 645.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H39NO10/c1-21-6-5-9-25(38)8-4-2-3-7-24-17-29(41)34(35(43)33(24)36(44)47-21)26(23-11-13-30-31(18-23)46-20-45-30)19-32(42)37-15-14-22-10-12-27(39)28(40)16-22/h3,7,10-13,16-18,21,26,39-41,43H,2,4-6,8-9,14-15,19-20H2,1H3,(H,37,42)/b7-3+/t21-,26?/m
InChIKey
YWTAMIDMISIDIV-JIKMMFEUSA-N
Synonyms

145705384
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(34dihydroxyphenyl)ethyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2(34dihydroxyphenyl)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(34dihydroxyphenethyl)propanamide
InChI=1SC36H39NO10c12165925(38)84237241729(41)34(35(43)33(24)36(44)4721)26(2311133031(1823)46204530)1932(42)37151422101227(39)28(40)1622h37101316182126394143H2468914151920H21H3(H3742)b73+t2126?m0s1
MFCD32651086
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccc(c(c1)O)O
ZINC001848443527
ZINC001848443528

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Available files

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