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3-(1,3-benzodioxol-5-yl)-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-(pyridin-2-yl)ethyl]propanamide

Catalog ID
STL561752
SMILES O=C1CCC/C=C/c2cc(O)c(c(c2C(=O)O[C@H](CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccccn1

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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 C35H38N2O8 MW 614.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N2O8/c1-22-8-7-12-26(38)11-4-2-3-9-24-18-28(39)33(34(41)32(24)35(42)45-22)27(23-13-14-29-30(19-23)44-21-43-29)20-31(40)37-17-15-25-10-5-6-16-36-25/h3,5-6,9-10,13-14,16,18-19,22,27,39,41H,2,4,7-8,11-12,15,17,20-21H2,1H3,(H,37,40)/b9-3+/t22-,
InChIKey
LUIFOCRUYDETGI-CRSXHRKPSA-N
Synonyms

145705108
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(pyridin2yl)ethyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2pyridin2ylethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(pyridin2yl)ethyl)propanamide
InChI=1SC35H38N2O8c122871226(38)114239241828(39)33(34(41)32(24)35(42)4522)27(2313142930(1923)44214329)2031(40)371715251056163625h356910131416181922273941H2478111215172021H21H3(H3740)b93+t2227?m0s1
MFCD32650817
O=C1CCCC=Cc2cc(O)c(c(c2C(=O)O(C@H)(CCC1)C)O)C(c1ccc2c(c1)OCO2)CC(=O)NCCc1ccccn1
ZINC001848442856
ZINC001848442857

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Available files

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