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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-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl}-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL551724
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCC(c1c[nH]c2c1cccc2)c1ccc(cc1)N(C)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 C48H55N3O9 MW 817.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H55N3O9/c1-29-13-12-16-34(52)15-9-7-8-14-31-23-40(53)45(46(55)44(31)48(56)60-29)36(32-24-41(57-4)47(59-6)42(25-32)58-5)26-43(54)50-27-37(30-19-21-33(22-20-30)51(2)3)38-28-49-39-18-11-10-17-35(38)39/h8,10-11,14,17-25,28-29,36-37,49,53,55H,7,9,1
InChIKey
LBFBOEXRKKFWET-BQBPUJBYSA-N
Synonyms

135640078
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(4(dimethylamino)phenyl)2(1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2(4(dimethylamino)phenyl)2(1~(H)indol3yl)ethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(4(dimethylamino)phenyl)2(1Hindol3yl)ethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCC(c1c(nH)c2c1cccc2)c1ccc(cc1)N(C)C
InChI=1SC48H55N3O9c12913121634(52)1597814312340(53)45(46(55)44(31)48(56)6029)36(322441(574)47(596)42(2532)585)2643(54)502737(30192133(222030)51(2)3)382849391811101735(38)39h8101114172528293637495355H79121315162627H216H3(H5054)b148+t2936?37?m0s1
ZINC001547138409
ZINC001547138413

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Available files

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