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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-(4-hydroxy-1,1-dioxidotetrahydrothiophen-3-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

Catalog ID
STL552230
SMILES COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)CC(=O)NC1CS(=O)(=O)CC1O

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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 C34H43NO12S MW 689.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H43NO12S/c1-19-9-8-12-22(36)11-7-5-6-10-20-13-25(37)31(32(40)30(20)34(41)47-19)23(16-29(39)35-24-17-48(42,43)18-26(24)38)21-14-27(44-2)33(46-4)28(15-21)45-3/h6,10,13-15,19,23-24,26,37-38,40H,5,7-9,11-12,16-18H2,1-4H3,(H,35,39)/b10-6+/t19-,23?,
InChIKey
KPYBSGQVOXCDGZ-RUCBDGBKSA-N
Synonyms

135640502
3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(4hydroxy11dioxidotetrahydrothiophen3yl)3(345trimethoxyphenyl)propanamide
3((4~(S)12~(E))1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)~(N)(4hydroxy11dioxothiolan3yl)3(345trimethoxyphenyl)propanamide
3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N((3R4S)4hydroxy11dioxidotetrahydrothiophen3yl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)CC(=O)N(C@H)1CS(=O)(=O)C(C@H)1O
InChI=1SC34H43NO12Sc119981222(36)1175610201325(37)31(32(40)30(20)34(41)4719)23(1629(39)35241748(4243)1826(24)38)211427(442)33(464)28(1521)453h610131519232426373840H57911121618H214H3(H3539)b106+t1923?24?26?m0s1
ZINC001547139168
ZINC001547204170

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Available files

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