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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-sulfanylethyl)-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552516
SMILES SCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1cc(OC)c(c(c1)OC)OC

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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 C32H41NO9S MW 615.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41NO9S/c1-19-9-8-12-22(34)11-7-5-6-10-20-15-24(35)29(30(37)28(20)32(38)42-19)23(18-27(36)33-13-14-43)21-16-25(39-2)31(41-4)26(17-21)40-3/h6,10,15-17,19,23,35,37,43H,5,7-9,11-14,18H2,1-4H3,(H,33,36)/b10-6+/t19-,23?/m0/s1
InChIKey
QCKGFJAXCKBJQE-NZORKGKJSA-N
Synonyms

135640737
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2sulfanylethyl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(2sulfanylethyl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2mercaptoethyl)3(345trimethoxyphenyl)propanamide
InChI=1SC32H41NO9Sc119981222(34)1175610201524(35)29(30(37)28(20)32(38)4219)23(1827(36)33131443)211625(392)31(414)26(1721)403h61015171923353743H579111418H214H3(H3336)b106+t1923?m0s1
SCCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1cc(OC)c(c(c1)OC)OC
ZINC001547138700
ZINC001547138702

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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