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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-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551782
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCc1c2CCN(Cc2c(c2c1OCO2)OC)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 C43H52N2O12 MW 788.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H52N2O12/c1-24-11-10-14-27(46)13-9-7-8-12-25-17-32(47)37(38(49)36(25)43(50)57-24)29(26-18-33(51-3)41(54-6)34(19-26)52-4)20-35(48)44-21-30-28-15-16-45(2)22-31(28)39(53-5)42-40(30)55-23-56-42/h8,12,17-19,24,29,47,49H,7,9-11,13-16,20-23H2,1-6H3,(
InChIKey
JOJZUXJZKFSQTL-KYMSFJDHSA-N
Synonyms

135640127
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)methyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)methyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)methyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCc1c2CCN(Cc2c(c2c1OCO2)OC)C
InChI=1SC43H52N2O12c12411101427(46)1397812251732(47)37(38(49)36(25)43(50)5724)29(261833(513)41(546)34(1926)524)2035(48)44213028151645(2)2231(28)39(535)4240(30)55235642h812171924294749H791113162023H216H3(H4448)b128+t2429?m0s1
ZINC001547139098
ZINC001547139099

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Available files

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