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

Systemtic Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-27-(3-methoxypropoxy)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-24-(2-methyl-2-oxidanyl-propyl)-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Openeye Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-24-(2-hydroxy-2-methyl-propyl)-6,9,18-triisobutyl-3,21-diisopropyl-27-(3-methoxypropoxy)-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-methoxypropoxy)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-24-(2-hydroxy-2-methylpropyl)-27-(3-methoxypropoxy)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Traditional Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-24-(2-hydroxy-2-methyl-propyl)-6,9,18-triisobutyl-3,21-diisopropyl-27-(3-methoxypropoxy)-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Formula: C66H119N11O15 MolecularWeight: 1306.71576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C(=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)O)C)OCCCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C66H119N11O15/c1-26-28-30-42(13)53(78)52-57(82)69-45(27-2)59(84)77(24)65(92-32-29-31-91-25)64(89)74(21)49(36-66(16,17)90)56(81)70-50(40(9)10)62(87)71(18)46(33-37(3)4)55(80)67-43(14)54(79)68-44(15)58(83)72(19)47(34-38(5)6)60(85)73(20)48(35-39(7)8)61(86)75(22)51(41(11)12)63(88)76(52)23/h26,28,37-53,65,78,90H,27,29-36H2,1-25H3,(H,67,80)(H,68,79)(H,69,82)(H,70,81)/b28-26+/t42-,43+,44-,45+,46+,47+,48+,49+,50+,51+,52+,53-,65?/m1/s1