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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-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

Catalog ID
STL552512
SMILES COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(c1ccc(cc1)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)9-5-3-4-8-25-19-30(40)34(35(43)33(25)36(44)46-22)29(23-13-17-28(45-2)18-14-23)20-32(42)37-21-31(41)24-11-15-27(39)16-12-24/h4,8,11-19,22,29,31,39-41,43H,3,5-7,9-10,20-21H2,1-2H3,(H,37,42)/b8-4+/t22-,29?,31?/m0/s1
InChIKey
NRYXXOLGEYEVMK-PIAWMHMVSA-N
Synonyms

135640734
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2hydroxy2(4hydroxyphenyl)ethyl)3(4methoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2hydroxy2(4hydroxyphenyl)ethyl)3(4methoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2hydroxy2(4hydroxyphenyl)ethyl)3(4methoxyphenyl)propanamide
COc1ccc(cc1)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(c1ccc(cc1)O)O
InChI=1SC36H41NO9c122761026(38)95348251930(40)34(35(43)33(25)36(44)4622)29(23131728(452)181423)2032(42)372131(41)24111527(39)161224h481119222931394143H3579102021H212H3(H3742)b84+t2229?31?m0s1
ZINC001772493131
ZINC001772493134

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Available files

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