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CAS#: 86701-12-4 Product: (4S,7R,8S,11R,18S,21R,22S,25R)-4,18-Di[(2S)-2-butanyl]-11,25-diisopropyl-7,21-dimethyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28 ),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone No suppilers available for the product. |
| Name | (4S,7R,8S,11R,18S,21R,22S,25R)-4,18-Di[(2S)-2-butanyl]-11,25-diisopropyl-7,21-dimethyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28 ),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone |
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| Synonyms | ascidiacyclamide; Cyclo(thiazole-D-val-oxazoline-L-ile)2 |
| Molecular Structure | ![CAS#: 86701-12-4, (4S,7R,8S,11R,18S,21R,22S,25R)-4,18-Di[(2S)-2-butanyl]-11,25-diisopropyl-7,21-dimethyl-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.1<sup>5,8</sup>.1<sup>12,15</sup>.1<sup>19,22</sup>]dotriaconta-1(28 ),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone](/moreStructures/86701-12-4.gif) |
| Molecular Formula | C36H52N8O6S2 |
| Molecular Weight | 756.98 |
| CAS Registry Number | 86701-12-4 |
| SMILES | CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)N[C@@H](C3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@@H](C5=NC(=CS5)C(=O)N1)C(C)C)[C@@H](C)CC)C(C)C |
| InChI | 1S/C36H52N8O6S2/c1-11-17(7)25-33-43-27(19(9)49-33)31(47)39-24(16(5)6)36-38-22(14-52-36)30(46)42-26(18(8)12-2)34-44-28(20(10)50-34)32(48)40-23(15(3)4)35-37-21(13-51-35)29(45)41-25/h13-20,23-28H,11-12H2,1-10H3,(H,39,47)(H,40,48)(H,41,45)(H,42,46)/t17-,18-,19+,20+,23+,24+,25-,26-,27-,28-/m0/s1 |
| InChIKey | QBRRPBPLIGDANJ-AXCFFLBZSA-N |
| Density | 1.4±0.1g/cm3 (Cal.) |
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| Boiling point | 993.1±65.0°C at 760 mmHg (Cal.) |
| Flash point | 554.4±34.3°C (Cal.) |