Try beta.chemspider
- 13 of 16 defined stereocentres
(6S,9S,12S,15R,18S,24S,26aS,32S,35S,42S,44aS,49aS)-18-Benzyl-42-[(2S)-2-butanyl]-6-isobutyl-9,24,35-triisopropyl-21-(methoxymethyl)-10,12,15,16,19,22,25,32,38,43-decamethyl-39-(4-pentyn-1-yl)triaconta hydro-1H,31H-tripyrrolo[1,2-g:1',2'-e_1_:1'',2''-h_1_][1,4,7,10,13,16,19,22,25,28,31,34,37,40]oxatridecaazacyclotritetracontine-5,8,11,14,17,20,23,26,31,34,37,41,44,49(35H,38H,49aH)-tetradecone
COCC1C(=O)N(C)[C@@H](CC2C=CC=CC=2)C(=O)N(C)[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)NC(CCCC#C)C(C)C(=O)O[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
InChI=1S/C79H125N13O16/c1-23-25-27-35-55-50(12)79(106)108-65(48(9)10)69(96)81-52(14)71(98)90-39-30-36-57(90)73(100)88(20)63(47(7)8)78(105)86(18)61(44-107-22)76(103)85(17)60(43-54-33-28-26-29-34-54)75(102)84(16)53(15)66(93)80-51(13)70(97)87(19)62(46(5)6)67(94)83-56(42-45(3)4)72(99)91-40-32-38-59(91)77(104)92-41-31-37-58(92)74(101)89(21)64(49(11)24-2)68(95)82-55/h1,26,28-29,33-34,45-53,55-65H,24-25,27,30-32,35-44H2,2-22H3,(H,80,93)(H,81,96)(H,82,95)(H,83,94)/t49-,50?,51-,52-,53+,55?,56-,57-,58-,59-,60-,61?,62-,63-,64-,65-/m0/s1
AJYHEKJFCQXDSB-PDLWVTQISA-N
CSID:78445515, http://www.chemspider.com/Chemical-Structure.78445515.html (accessed 03:20, Jul 2, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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