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N-(3,4-dihydro-1H-isochromen-1-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
STL552314
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC1OCCc2c1cccc2

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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 C40H47NO10 MW 701.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H47NO10/c1-24-11-10-15-28(42)14-7-5-6-13-26-19-31(43)37(38(45)36(26)40(46)51-24)30(27-20-32(47-2)39(49-4)33(21-27)48-3)22-35(44)41-23-34-29-16-9-8-12-25(29)17-18-50-34/h6,8-9,12-13,16,19-21,24,30,34,43,45H,5,7,10-11,14-15,17-18,22-23H2,1-4H3,(
InChIKey
OKQHCKQNNAHBQL-HGZASRPKSA-N
Synonyms

~(N)(34dihydro1~(H)isochromen1ylmethyl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640571
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(isochroman1ylmethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC1OCCc2c1cccc2
InChI=1SC40H47NO10c12411101528(42)1475613261931(43)37(38(45)36(26)40(46)5124)30(272032(472)39(494)33(2127)483)2235(44)4123342916981225(29)17185034h68912131619212430344345H571011141517182223H214H3(H4144)b136+t2430?34?m0s1
N(34dihydro1Hisochromen1ylmethyl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138629
ZINC001547138637

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Available files

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