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3-(1,3-benzodioxol-5-yl)-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-(dimethylamino)ethyl]propanamide

Catalog ID
STL562037
SMILES CN(CCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2)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 C32H40N2O8 MW 580.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O8/c1-20-8-7-11-23(35)10-6-4-5-9-22-16-25(36)30(31(38)29(22)32(39)42-20)24(18-28(37)33-14-15-34(2)3)21-12-13-26-27(17-21)41-19-40-26/h5,9,12-13,16-17,20,24,36,38H,4,6-8,10-11,14-15,18-19H2,1-3H3,(H,33,37)/b9-5+/t20-,24?/m0/s1
InChIKey
VCSPDQLYOVZKTO-REPMFHTISA-N
Synonyms

145705389
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N(2(dimethylamino)ethyl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N(2(dimethylamino)ethyl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N(2(dimethylamino)ethyl)propanamide
CN(CCNC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc2c(c1)OCO2)C
InChI=1SC32H40N2O8c120871123(35)106459221625(36)30(31(38)29(22)32(39)4220)24(1828(37)33141534(2)3)2112132627(1721)41194026h591213161720243638H468101114151819H213H3(H3337)b95+t2024?m0s1
MFCD32651091
ZINC001848443475
ZINC001848443476

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Available files

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