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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-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552188
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(c1ccc(c(c1)O)O)O

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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 C38H45NO12 MW 707.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45NO12/c1-21-9-8-12-25(40)11-7-5-6-10-23-16-29(43)35(36(46)34(23)38(47)51-21)26(24-17-31(48-2)37(50-4)32(18-24)49-3)19-33(45)39-20-30(44)22-13-14-27(41)28(42)15-22/h6,10,13-18,21,26,30,41-44,46H,5,7-9,11-12,19-20H2,1-4H3,(H,39,45)/b10-6+/t21-
InChIKey
CKJPVPCEHGIPPN-MBHYCNNTSA-N
Synonyms

135640465
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N((2R)2(34dihydroxyphenyl)2hydroxyethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)((2~(R))2(34dihydroxyphenyl)2hydroxyethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N((R)2(34dihydroxyphenyl)2hydroxyethyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)NC(C@@H)(c1ccc(c(c1)O)O)O
InChI=1SC38H45NO12c121981225(40)1175610231629(43)35(36(46)34(23)38(47)5121)26(241731(482)37(504)32(1824)493)1933(45)392030(44)22131427(41)28(42)1522h6101318212630414446H57911121920H214H3(H3945)b106+t2126?30m0s1
ZINC001547138553
ZINC001547138556

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Available files

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