(3S,6S,12S,15S,18S,21S,24S,27R,30S,33S)-12-ethyl-7,10,16,19,22,25,27,30-octamethyl-15-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-3,6,21,24-tetrakis(2-methylpropyl)-18-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,12S,15S,18S,21S,24S,27R,30S,33S)-12-ethyl-7,10,16,19,22,25,27,30-octamethyl-15-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-3,6,21,24-tetrakis(2-methylpropyl)-18-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,12S,15S,18S,21S,24S,27R,30S,33S)-12-ethyl-15-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-3,6,21,24-tetraisobutyl-18-isopropyl-7,10,16,19,22,25,27,30-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,12S,15S,18S,21S,24S,27R,30S,33S)-12-ethyl-15-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-7,10,16,19,22,25,27,30-octamethyl-3,6,21,24-tetrakis(2-methylpropyl)-18-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,12S,15S,18S,21S,24S,27R,30S,33S)-12-ethyl-15-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-7,10,16,19,22,25,27,30-octamethyl-3,6,21,24-tetrakis(2-methylpropyl)-18-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,12S,15S,18S,21S,24S,27R,30S,33S)-12-ethyl-15-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-3,6,21,24-tetraisobutyl-18-isopropyl-7,10,16,19,22,25,27,30-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: C61H107N11O12 MolecularWeight: 1186.56878

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C61H107N11O12/c1-22-24-26-39(13)51(74)50-55(78)64-42(23-2)57(80)66(16)33-48(73)67(17)45(30-35(5)6)54(77)65-43(29-34(3)4)58(81)72-28-25-27-44(72)53(76)62-40(14)52(75)63-41(15)56(79)68(18)46(31-36(7)8)59(82)69(19)47(32-37(9)10)60(83)70(20)49(38(11)12)61(84)71(50)21/h22,24,34-47,49-51,74H,23,25-33H2,1-21H3,(H,62,76)(H,63,75)(H,64,78)(H,65,77)/b24-22+/t39-,40+,41-,42+,43+,44+,45+,46+,47+,49+,50+,51-/m1/s1