(3S,6S,9S,12S,18S,21S,24S,27S,30S,33R)-18-(1-hydroxyethyl)-3,13,16,22,25,31-hexamethyl-21-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-12-(2-methyl-2-oxidanyl-propyl)-6,9,27,30-tetrakis(2-methylpropyl)-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Systemtic Name: (3S,6S,9S,12S,18S,21S,24S,27S,30S,33R)-18-(1-hydroxyethyl)-3,13,16,22,25,31-hexamethyl-21-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-12-(2-methyl-2-oxidanyl-propyl)-6,9,27,30-tetrakis(2-methylpropyl)-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Openeye Name: (3S,6S,9S,12S,18S,21S,24S,27S,30S,33R)-18-(1-hydroxyethyl)-21-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-12-(2-hydroxy-2-methyl-propyl)-6,9,27,30-tetraisobutyl-24,33-diisopropyl-3,13,16,22,25,31-hexamethyl-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone CAS Name: (3S,6S,9S,12S,18S,21S,24S,27S,30S,33R)-18-(1-hydroxyethyl)-21-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-12-(2-hydroxy-2-methylpropyl)-3,13,16,22,25,31-hexamethyl-6,9,27,30-tetrakis(2-methylpropyl)-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone IUPAC Name: (3S,6S,9S,12S,18S,21S,24S,27S,30S,33R)-18-(1-hydroxyethyl)-21-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-12-(2-hydroxy-2-methylpropyl)-3,13,16,22,25,31-hexamethyl-6,9,27,30-tetrakis(2-methylpropyl)-24,33-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Traditional Name: (3S,6S,9S,12S,18S,21S,24S,27S,30S,33R)-18-(1-hydroxyethyl)-21-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-12-(2-hydroxy-2-methyl-propyl)-6,9,27,30-tetraisobutyl-24,33-diisopropyl-3,13,16,22,25,31-hexamethyl-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Formula: C63H112N10O15 MolecularWeight: 1249.62138

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C)C(C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)C(C)C)C)CC(C)C)CC(C)C)CC(C)(C)O)C)C)C(C)O)O

Isomeric SMILES

C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)CC(C)C)C)C(C)C)C)CC(C)C)CC(C)C)CC(C)(C)O)C)C)C(C)O)O

InChI

InChI=1S/C63H112N10O15/c1-24-25-26-39(14)51(76)50-57(81)68-48(41(16)74)59(83)69(19)32-47(75)70(20)46(31-63(17,18)87)56(80)66-43(28-34(4)5)54(78)65-42(27-33(2)3)53(77)64-40(15)62(86)88-52(38(12)13)61(85)71(21)45(30-36(8)9)55(79)67-44(29-35(6)7)58(82)72(22)49(37(10)11)60(84)73(50)23/h24-25,33-46,48-52,74,76,87H,26-32H2,1-23H3,(H,64,77)(H,65,78)(H,66,80)(H,67,79)(H,68,81)/b25-24+/t39-,40+,41?,42+,43+,44+,45+,46+,48+,49+,50+,51-,52-/m1/s1