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(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,22,25,28-decamethyl-24-[(2R)-2-methylbutyl]-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-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-1,4,7,10,12,15,19,22,25,28-decamethyl-24-[(2R)-2-methylbutyl]-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-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]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,22,25,28-decamethyl-24-[(2R)-2-methylbutyl]-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]-1,4,7,10,12,15,19,22,25,28-decamethyl-24-[(2R)-2-methylbutyl]-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]-1,4,7,10,12,15,19,22,25,28-decamethyl-24-[(2R)-2-methylbutyl]-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]-6,9,18-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,22,25,28-decamethyl-24-[(2R)-2-methylbutyl]-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:	C₆₄H₁₁₅N₁₁O₁₂
MolecularWeight:	1230.6644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC(=O)N(C(C(=O)N(C(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)C)CC(C)CC)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)C)C)CC(C)C)C)C(C)C)C)C[C@H](C)CC)C)C

InChI

InChI=1S/C64H115N11O12/c1-26-29-30-42(15)54(77)53-57(80)67-45(28-3)59(82)68(18)35-50(76)69(19)49(34-41(14)27-2)62(85)73(23)51(39(10)11)63(86)70(20)46(31-36(4)5)56(79)65-43(16)55(78)66-44(17)58(81)71(21)47(32-37(6)7)60(83)72(22)48(33-38(8)9)61(84)74(24)52(40(12)13)64(87)75(53)25/h26,29,36-49,51-54,77H,27-28,30-35H2,1-25H3,(H,65,79)(H,66,78)(H,67,80)/b29-26+/t41-,42-,43+,44-,45+,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1

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