prop-2-enyl 4-[(3S,6S,9S,12S,15R,18S,21S,24S,27S,33R,34S,36R)-4,7,10,13,15,18,22,28,31,34-decamethyl-3-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-9,12,21,27-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecakis(oxidanylidene)-6,24-di(propan-2-yl)-35-oxa-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-36-yl]benzoate

Systemtic Name: prop-2-enyl 4-[(3S,6S,9S,12S,15R,18S,21S,24S,27S,33R,34S,36R)-4,7,10,13,15,18,22,28,31,34-decamethyl-3-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-9,12,21,27-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecakis(oxidanylidene)-6,24-di(propan-2-yl)-35-oxa-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-36-yl]benzoate Openeye Name: allyl 4-[(3S,6S,9S,12S,15R,18S,21S,24S,27S,33R,34S,36R)-3-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-9,12,21,27-tetraisobutyl-6,24-diisopropyl-4,7,10,13,15,18,22,28,31,34-decamethyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-35-oxa-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-36-yl]benzoate CAS Name: 4-[(3S,6S,9S,12S,15R,18S,21S,24S,27S,33R,34S,36R)-3-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,15,18,22,28,31,34-decamethyl-9,12,21,27-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-6,24-di(propan-2-yl)-35-oxa-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-36-yl]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-[(3S,6S,9S,12S,15R,18S,21S,24S,27S,33R,34S,36R)-3-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,15,18,22,28,31,34-decamethyl-9,12,21,27-tetrakis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-6,24-di(propan-2-yl)-35-oxa-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-36-yl]benzoate Traditional Name: 4-[(3S,6S,9S,12S,15R,18S,21S,24S,27S,33R,34S,36R)-3-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-9,12,21,27-tetraisobutyl-6,24-diisopropyl-2,5,8,11,14,17,20,23,26,29,32-undecaketo-4,7,10,13,15,18,22,28,31,34-decamethyl-35-oxa-1,4,7,10,13,16,19,22,25,28,31-undecazabicyclo[31.3.0]hexatriacontan-36-yl]benzoic acid allyl ester Formula: C73H119N11O15 MolecularWeight: 1390.79066

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C)C(C1C(=O)N2C(C(OC2C3=CC=C(C=C3)C(=O)OCC=C)C)C(=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)N1C)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)C)O

Isomeric SMILES

C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N2[C@H]([C@@H](O[C@@H]2C3=CC=C(C=C3)C(=O)OCC=C)C)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)N[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)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)O

InChI

InChI=1S/C73H119N11O15/c1-26-28-29-46(15)61(86)60-71(96)84-59(49(18)99-72(84)50-30-32-51(33-31-50)73(97)98-34-27-2)69(94)77(19)39-56(85)78(20)52(35-40(3)4)64(89)76-57(44(11)12)68(93)79(21)53(36-41(5)6)63(88)74-47(16)62(87)75-48(17)65(90)80(22)54(37-42(7)8)66(91)81(23)55(38-43(9)10)67(92)82(24)58(45(13)14)70(95)83(60)25/h26-28,30-33,40-49,52-55,57-61,72,86H,2,29,34-39H2,1,3-25H3,(H,74,88)(H,75,87)(H,76,89)/b28-26+/t46-,47+,48-,49+,52+,53+,54+,55+,57+,58+,59-,60+,61-,72-/m1/s1