(3S,6S,9S,12S,15S,18R,21S,24S,27S,30S,33S)-3-ethyl-7,10,13,16,18,21,25,31-octamethyl-6-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-12,15,24,30-tetrakis(2-methylpropyl)-9,27-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Systemtic Name: (3S,6S,9S,12S,15S,18R,21S,24S,27S,30S,33S)-3-ethyl-7,10,13,16,18,21,25,31-octamethyl-6-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-12,15,24,30-tetrakis(2-methylpropyl)-9,27-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Openeye Name: (3S,6S,9S,12S,15S,18R,21S,24S,27S,30S,33S)-3-ethyl-6-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-12,15,24,30-tetraisobutyl-9,27-diisopropyl-7,10,13,16,18,21,25,31-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone CAS Name: (3S,6S,9S,12S,15S,18R,21S,24S,27S,30S,33S)-3-ethyl-6-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-7,10,13,16,18,21,25,31-octamethyl-12,15,24,30-tetrakis(2-methylpropyl)-9,27-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone IUPAC Name: (3S,6S,9S,12S,15S,18R,21S,24S,27S,30S,33S)-3-ethyl-6-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-7,10,13,16,18,21,25,31-octamethyl-12,15,24,30-tetrakis(2-methylpropyl)-9,27-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Traditional Name: (3S,6S,9S,12S,15S,18R,21S,24S,27S,30S,33S)-3-ethyl-6-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-12,15,24,30-tetraisobutyl-9,27-diisopropyl-7,10,13,16,18,21,25,31-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Formula: C64H113N11O12 MolecularWeight: 1228.64852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C

Isomeric SMILES

CC[C@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C

InChI

InChI=1S/C64H113N11O12/c1-24-26-28-41(15)53(76)52-57(80)67-44(25-2)59(82)75-30-27-29-45(75)60(83)69(18)47(32-36(5)6)56(79)68-50(39(11)12)63(86)70(19)46(31-35(3)4)55(78)65-42(16)54(77)66-43(17)58(81)71(20)48(33-37(7)8)61(84)72(21)49(34-38(9)10)62(85)73(22)51(40(13)14)64(87)74(52)23/h24,26,35-53,76H,25,27-34H2,1-23H3,(H,65,78)(H,66,77)(H,67,80)(H,68,79)/b26-24+/t41-,42+,43-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-/m1/s1