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methyl 5-[({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-(4-methoxyphenyl)propanoyl}amino)methyl]furan-2-carboxylate

Catalog ID
STL552497
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1ccc(o1)C(=O)OC

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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 C35H39NO10 MW 633.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39NO10/c1-21-8-7-11-24(37)10-6-4-5-9-23-18-28(38)32(33(40)31(23)35(42)45-21)27(22-12-14-25(43-2)15-13-22)19-30(39)36-20-26-16-17-29(46-26)34(41)44-3/h5,9,12-18,21,27,38,40H,4,6-8,10-11,19-20H2,1-3H3,(H,36,39)/b9-5+/t21-,27?/m0/s1
InChIKey
HHAFVRUUGQPDPG-RCJHWWDHSA-N
Synonyms

135640722
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1ccc(o1)C(=O)OC
InChI=1SC35H39NO10c121871124(37)106459231828(38)32(33(40)31(23)35(42)4521)27(22121425(432)151322)1930(39)362026161729(4626)34(41)443h59121821273840H46810111920H213H3(H3639)b95+t2127?m0s1
methyl5(((3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(4methoxyphenyl)propanoyl)amino)methyl)furan2carboxylate
methyl5(((3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(4methoxyphenyl)propanoyl)amino)methyl)furan2carboxylate
methyl5((3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(4methoxyphenyl)propanamido)methyl)furan2carboxylate
ZINC001772493105
ZINC001772493106

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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