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

Systemtic Name: [(2R,5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-1,4,10,14,17,19,22,25,28-nonamethyl-29-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-5,11,20,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-8,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ethanoate Openeye Name: [(2R,5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-29-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-5,11,20,23-tetraisobutyl-8,26-diisopropyl-1,4,10,14,17,19,22,25,28-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl acetate CAS Name: acetic acid [(2R,5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-29-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,14,17,19,22,25,28-nonamethyl-5,11,20,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ester IUPAC Name: [(2R,5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-29-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,14,17,19,22,25,28-nonamethyl-5,11,20,23-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,26-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl acetate Traditional Name: acetic acid [(2R,5S,8S,11S,14S,17R,20S,23S,26S,29S,32S)-32-ethyl-29-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-5,11,20,23-tetraisobutyl-8,26-diisopropyl-3,6,9,12,15,18,21,24,27,30,33-undecaketo-1,4,10,14,17,19,22,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]methyl ester Formula: C65H115N11O14 MolecularWeight: 1274.6739

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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)C)COC(=O)C)C

Isomeric SMILES

CC[C@H]1C(=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)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)COC(=O)C)C

InChI

InChI=1S/C65H115N11O14/c1-26-28-29-41(15)54(78)53-58(82)68-45(27-2)60(84)74(23)50(34-90-44(18)77)63(87)70(19)47(31-36(5)6)57(81)69-51(39(11)12)64(88)71(20)46(30-35(3)4)56(80)66-42(16)55(79)67-43(17)59(83)72(21)48(32-37(7)8)61(85)73(22)49(33-38(9)10)62(86)75(24)52(40(13)14)65(89)76(53)25/h26,28,35-43,45-54,78H,27,29-34H2,1-25H3,(H,66,80)(H,67,79)(H,68,82)(H,69,81)/b28-26+/t41-,42+,43-,45+,46+,47+,48+,49+,50-,51+,52+,53+,54-/m1/s1