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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-(1H-imidazol-1-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552632
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NCCCn1cncc1

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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 C36H45N3O9 MW 663.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H45N3O9/c1-23-10-8-13-26(40)12-7-5-6-11-24-18-28(41)33(34(43)32(24)36(44)48-23)27(21-31(42)38-14-9-16-39-17-15-37-22-39)25-19-29(45-2)35(47-4)30(20-25)46-3/h6,11,15,17-20,22-23,27,41,43H,5,7-10,12-14,16,21H2,1-4H3,(H,38,42)/b11-6+/t23-,27?/m0/
InChIKey
MPHPVWUFLMKRJQ-VGDXYBPLSA-N
Synonyms

135640835
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(3(1Himidazol1yl)propyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(3imidazol1ylpropyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NCCCn1cncc1
InChI=1SC36H45N3O9c1231081326(40)1275611241828(41)33(34(43)32(24)36(44)4823)27(2131(42)3814916391715372239)251929(452)35(474)30(2025)463h6111517202223274143H571012141621H214H3(H3842)b116+t2327?m0s1
N(3(1Himidazol1yl)propyl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)3(345trimethoxyphenyl)propanamide
ZINC001547138522
ZINC001547138524

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Available files

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