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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-{3-methyl-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-yl}-3-(3,4,5-trimethoxyphenyl)prop

Catalog ID
STL552315
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)C(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 C46H57N3O11 MW 827.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H57N3O11/c1-26(2)42(45(55)48-23-28-18-31(25-48)34-16-11-17-39(53)49(34)24-28)47-38(52)22-33(30-20-36(57-4)44(59-6)37(21-30)58-5)41-35(51)19-29-13-8-7-9-14-32(50)15-10-12-27(3)60-46(56)40(29)43(41)54/h8,11,13,16-17,19-21,26-28,31,33,42,51,54H,7
InChIKey
MHFXUSOSGMMZLH-RUTFYGELSA-N
Synonyms

135640572
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(3methyl1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butan2yl)3(345trimethoxyphenyl)prop
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3methyl1oxo1((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)butan2yl)3(345trimethoxyphenyl)propanamide
CIN3(4H)YL)BUTAN2YL)3(345TRIMETHOXYPHENYL)PROP
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)(C(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C(C)C
InChI=1SC46H57N3O11c126(2)42(45(55)4823281831(2548)3416111739(53)49(34)2428)4738(52)2233(302036(574)44(596)37(2130)585)4135(51)1929138791432(50)15101227(3)6046(56)40(29)43(41)54h811131617192126283133425154H7910121415182225H216H3(H4752)b138+t2728+3133
ZINC001547139235
ZINC001547208542

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Available files

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