(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-12-[2-(1,3-dioxan-2-yl)ethoxymethyl]-30-ethyl-1,4,7,10,15,19,25,28-octamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18,24-tetrakis(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)-12-[2-(1,3-dioxan-2-yl)ethoxymethyl]-30-ethyl-1,4,7,10,15,19,25,28-octamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18,24-tetrakis(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)-12-[2-(1,3-dioxan-2-yl)ethoxymethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,15,19,25,28-octamethyl-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)-12-[2-(1,3-dioxan-2-yl)ethoxymethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,15,19,25,28-octamethyl-6,9,18,24-tetrakis(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)-12-[2-(1,3-dioxan-2-yl)ethoxymethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,15,19,25,28-octamethyl-6,9,18,24-tetrakis(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)-12-[2-(1,3-dioxan-2-yl)ethoxymethyl]-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,15,19,25,28-octamethyl-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: C68H121N11O15 MolecularWeight: 1332.75304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC(=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)COCCC2OCCCO2)C)CC(C)C)C)C(C)C)CC(C)C)C)C

Isomeric SMILES

CC[C@H]1C(=O)N(CC(=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)COCCC2OCCCO2)C)CC(C)C)C)C(C)C)CC(C)C)C)C

InChI

InChI=1S/C68H121N11O15/c1-24-26-28-45(15)58(81)57-62(85)70-47(25-2)63(86)73(17)37-53(80)74(18)49(33-39(3)4)61(84)72-55(43(11)12)67(90)75(19)50(34-40(5)6)60(83)69-46(16)59(82)71-48(38-92-32-29-54-93-30-27-31-94-54)64(87)76(20)51(35-41(7)8)65(88)77(21)52(36-42(9)10)66(89)78(22)56(44(13)14)68(91)79(57)23/h24,26,39-52,54-58,81H,25,27-38H2,1-23H3,(H,69,83)(H,70,85)(H,71,82)(H,72,84)/b26-24+/t45-,46+,47+,48-,49+,50+,51+,52+,55+,56+,57+,58-/m1/s1