1.0 2026-09-22 20:16:29 UTC 2026-09-22 20:16:29 UTC FDB118814 Cereulide (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexa(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone (3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-12,24,36-triisobutyl-3,6,15,18,27,30-hexaisopropyl-9,21,33-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone C57H96N6O18 1153.419 1152.678110275 (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-5,11,17,23,29,35-hexahydroxy-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexakis(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriaconta-4,10,16,22,28,34-hexaene-2,8,14,20,26,32-hexone (3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-5,11,17,23,29,35-hexahydroxy-3,6,15,18,27,30-hexaisopropyl-9,21,33-trimethyl-12,24,36-tris(2-methylpropyl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriaconta-4,10,16,22,28,34-hexaene-2,8,14,20,26,32-hexone [H][C@]1(C)N=C(O)[C@@]([H])(CC(C)C)OC(=O)[C@@]([H])(N=C(O)[C@@]([H])(OC(=O)[C@@]([H])(C)N=C(O)[C@@]([H])(CC(C)C)OC(=O)[C@@]([H])(N=C(O)[C@@]([H])(OC(=O)[C@@]([H])(C)N=C(O)[C@@]([H])(CC(C)C)OC(=O)[C@@]([H])(N=C(O)[C@@]([H])(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C InChI=1S/C57H96N6O18/c1-25(2)22-37-46(64)58-34(19)52(70)79-44(32(15)16)50(68)62-41(29(9)10)56(74)77-39(24-27(5)6)48(66)60-36(21)54(72)81-45(33(17)18)51(69)63-42(30(11)12)57(75)78-38(23-26(3)4)47(65)59-35(20)53(71)80-43(31(13)14)49(67)61-40(28(7)8)55(73)76-37/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+/m1/s1 JWWAHGUHYLWQCQ-UHZBFKKDSA-N belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating. Cyclic depsipeptides Organic compounds Organic acids and derivatives Peptidomimetics Depsipeptides Aliphatic heteromonocyclic compounds Alpha amino acid esters Azacyclic compounds Carbonyl compounds Carboxylic acid esters Hexacarboxylic acids and derivatives Hydrocarbon derivatives Lactams Lactones Macrolactams Macrolide lactams Macrolides and analogues Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary carboxylic acid amides Aliphatic heteromonocyclic compound Alpha-amino acid ester Alpha-amino acid or derivatives Azacycle Carbonyl group Carboxamide group Carboxylic acid derivative Carboxylic acid ester Cyclic depsipeptide Hexacarboxylic acid or derivatives Hydrocarbon derivative Lactam Lactone Macrolactam Macrolide Macrolide lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Secondary carboxylic acid amide logp 4.22 ALOGPS logs -5.35 ALOGPS solubility 5.18e-03 g/l ALOGPS logp 11.94 ChemAxon pka_strongest_acidic 2.74 ChemAxon pka_strongest_basic 0.76 ChemAxon iupac (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-5,11,17,23,29,35-hexahydroxy-3,15,27-trimethyl-6,18,30-tris(2-methylpropyl)-9,12,21,24,33,36-hexakis(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriaconta-4,10,16,22,28,34-hexaene-2,8,14,20,26,32-hexone ChemAxon average_mass 1153.419 ChemAxon mono_mass 1152.678110275 ChemAxon smiles [H][C@]1(C)N=C(O)[C@@]([H])(CC(C)C)OC(=O)[C@@]([H])(N=C(O)[C@@]([H])(OC(=O)[C@@]([H])(C)N=C(O)[C@@]([H])(CC(C)C)OC(=O)[C@@]([H])(N=C(O)[C@@]([H])(OC(=O)[C@@]([H])(C)N=C(O)[C@@]([H])(CC(C)C)OC(=O)[C@@]([H])(N=C(O)[C@@]([H])(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C ChemAxon formula C57H96N6O18 ChemAxon inchi InChI=1S/C57H96N6O18/c1-25(2)22-37-46(64)58-34(19)52(70)79-44(32(15)16)50(68)62-41(29(9)10)56(74)77-39(24-27(5)6)48(66)60-36(21)54(72)81-45(33(17)18)51(69)63-42(30(11)12)57(75)78-38(23-26(3)4)47(65)59-35(20)53(71)80-43(31(13)14)49(67)61-40(28(7)8)55(73)76-37/h25-45H,22-24H2,1-21H3,(H,58,64)(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)/t34-,35-,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+/m1/s1 ChemAxon inchikey JWWAHGUHYLWQCQ-UHZBFKKDSA-N ChemAxon polar_surface_area 353.34 ChemAxon refractivity 293.99 ChemAxon polarizability 123.52 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 18 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 3616620 Specdb::MsMs 3616621 Specdb::MsMs 3616622 Specdb::MsMs 3616623 Specdb::MsMs 3616624 Specdb::MsMs 3616625 Specdb::NmrOneD 339268 Specdb::NmrOneD 339269 Specdb::NmrOneD 339270 Specdb::NmrOneD 339271 Specdb::NmrOneD 339272 Specdb::NmrOneD 339273 Specdb::NmrOneD 339274 Specdb::NmrOneD 339275 Specdb::NmrOneD 339276 Specdb::NmrOneD 339277 Specdb::NmrOneD 339278 Specdb::NmrOneD 339279 Specdb::NmrOneD 339280 Specdb::NmrOneD 339281 Specdb::NmrOneD 339282 Specdb::NmrOneD 339283 Specdb::NmrOneD 339284 Specdb::NmrOneD 339285 Specdb::NmrOneD 339286 Specdb::NmrOneD 339287