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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-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide

Catalog ID
STL561634
SMILES OCC(NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O[C@@H](C)CCCC(=O)CCC/C=C/2)c1ccc2c(c1)OCO2)Cc1ccccc1

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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 C37H41NO9 MW 643.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H41NO9/c1-23-9-8-14-28(40)13-7-3-6-12-26-18-30(41)35(36(43)34(26)37(44)47-23)29(25-15-16-31-32(19-25)46-22-45-31)20-33(42)38-27(21-39)17-24-10-4-2-5-11-24/h2,4-6,10-12,15-16,18-19,23,27,29,39,41,43H,3,7-9,13-14,17,20-22H2,1H3,(H,38,42)/b12-6+/
InChIKey
ORWYOVGDBNATBH-FTAYMYDRSA-N
Synonyms

145704991
3(13benzodioxol5yl)3((3S11E)1416dihydroxy3methyl17dioxo345678910octahydro1H2benzoxacyclotetradecin15yl)N((2R)1hydroxy3phenylpropan2yl)propanamide
3(13benzodioxol5yl)3((4S12E)1618dihydroxy4methyl28dioxo3oxabicyclo(1240)octadeca1(18)121416tetraen17yl)N((2R)1hydroxy3phenylpropan2yl)propanamide
3(benzo(d)(13)dioxol5yl)3((SE)1416dihydroxy3methyl17dioxo345678910octahydro1Hbenzo(c)(1)oxacyclotetradecin15yl)N((R)1hydroxy3phenylpropan2yl)propanamide
InChI=1SC37H41NO9c123981428(40)1373612261830(41)35(36(43)34(26)37(44)4723)29(2515163132(1925)46224531)2033(42)3827(2139)1724104251124h246101215161819232729394143H3791314172022H21H3(H3842)b126+t2327+29?m0s1
MFCD32650699
OC(C@H)(NC(=O)CC(c1c(O)cc2c(c1O)C(=O)O(C@@H)(C)CCCC(=O)CCCC=C2)c1ccc2c(c1)OCO2)Cc1ccccc1
ZINC001848442920
ZINC001848442921

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Available files

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