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N~2~-{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)propanoyl}-L-alaninamide

Catalog ID
STL552199
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)N[C@H](C(=O)N)C

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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 C33H42N2O10 MW 626.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H42N2O10/c1-18-10-9-13-22(36)12-8-6-7-11-20-14-24(37)29(30(39)28(20)33(41)45-18)23(17-27(38)35-19(2)32(34)40)21-15-25(42-3)31(44-5)26(16-21)43-4/h7,11,14-16,18-19,23,37,39H,6,8-10,12-13,17H2,1-5H3,(H2,34,40)(H,35,38)/b11-7+/t18-,19-,23?/m0/s1
InChIKey
KIDZDQXFDIPIDL-CYRIXXFXSA-N
Synonyms

~(N)((2~(S))1amino1oxopropan2yl)3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)3(345trimethoxyphenyl)propanamide
135640474
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(C(=O)N)C
InChI=1SC33H42N2O10c1181091322(36)1286711201424(37)29(30(39)28(20)33(41)4518)23(1727(38)3519(2)32(34)40)211525(423)31(445)26(1621)434h71114161819233739H6810121317H215H3(H23440)(H3538)b117+t181923?m0s1
N((S)1amino1oxopropan2yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
N~2~(3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)3(345trimethoxyphenyl)propanoyl)Lalaninamide
ZINC001547138374
ZINC001547138375

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Available files

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