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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]-3-(4-methoxyphenyl)propanamide

Catalog ID
STL551986
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)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 C36H41NO9 MW 631.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41NO9/c1-22-7-6-10-26(38)9-5-3-4-8-25-20-31(41)34(35(43)33(25)36(44)46-22)28(24-12-14-27(45-2)15-13-24)21-32(42)37-18-17-23-11-16-29(39)30(40)19-23/h4,8,11-16,19-20,22,28,39-41,43H,3,5-7,9-10,17-18,21H2,1-2H3,(H,37,42)/b8-4+/t22-,28?/m0/s1
InChIKey
QAKIZVPELFHIOQ-SKMYYJBJSA-N
Synonyms

135640300
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(34dihydroxyphenyl)ethyl)3(4methoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(34dihydroxyphenyl)ethyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(34dihydroxyphenethyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCc1ccc(c(c1)O)O
InChI=1SC36H41NO9c122761026(38)95348252031(41)34(35(43)33(25)36(44)4622)28(24121427(452)151324)2132(42)37181723111629(39)30(40)1923h48111619202228394143H357910171821H212H3(H3742)b84+t2228?m0s1
ZINC001547208796
ZINC001547208797

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Available files

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