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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-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551882
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC1N(C)CCc2c1c(OC)c1c(c2)OCO1

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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/c1-24-11-10-14-28(46)13-9-7-8-12-25-17-31(47)38(39(49)37(25)43(50)57-24)29(27-19-32(51-3)40(53-5)33(20-27)52-4)21-35(48)44-22-30-36-26(15-16-45(30)2)18-34-41(42(36)54-6)56-23-55-34/h8,12,17-20,24,29-30,47,49H,7,9-11,13-16,21-23H2,1-6H
InChIKey
KUANTSLKGZJSTR-WQDGUJDXSA-N
Synonyms

135640213
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)methyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)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)NCC1N(C)CCc2c1c(OC)c1c(c2)OCO1
InChI=1SC43H52N2O12c12411101428(46)1397812251731(47)38(39(49)37(25)43(50)5724)29(271932(513)40(535)33(2027)524)2135(48)4422303626(151645(30)2)183441(42(36)546)56235534h81217202429304749H791113162123H216H3(H4448)b128+t2429?30?m0s1
ZINC001547138399
ZINC001547138402

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Available files

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