| Properties | Image |
|---|
| MNX_ID | MNXM169564 |
 |
| reference | slm:000500326 |
| formula | C63H104O2 |
| global charge | 0 |
| mol weight | 893.523 |
| InChIKey | ITJOQGCDEDGOHI-ZVLMZYIZSA-N |
| InChI | InChI=1S/C63H104O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-43-61(64)65-56-48-50-62(5)55(52-56)44-45-57-59-47-46-58(54(4)42-40-41-53(2)3)63(59,6)51-49-60(57)62/h8-9,11-12,14-15,17-18,20-21,23-24,44,53-54,56-60H,7,10,13,16,19,22,25-43,45-52H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t54-,56+,57+,58-,59+,60+,62+,63-/m1/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 |
MNX internals
| InChI (mnx) | InChI=1/C63H104O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-43-61(64)65-56-48-50-62(5)55(52-56)44-45-57-59-47-46-58(54(4)42-40-41-53(2)3)63(59,6)51-49-60(57)62/h8-9,11-12,14-15,17-18,20-21,23-24,44,53-54,56-60H,7,10,13,16,19,22,25-43,45-52H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-,24-23-/t54-,56+,57+,58-,59+,60+,62+,63-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:43][C:61](=[O:64])[O:65][C@H:56]1[CH2:48][CH2:50][C@@:62]2([CH3:5])[C:55](=[CH:44][CH2:45][C@H:57]3[C@@H:59]4[CH2:47][CH2:46][C@H:58]([C@H:54]([CH3:4])[CH2:42][CH2:40][CH2:41][CH:53]([CH3:2])[CH3:3])[C@@:63]4([CH3:6])[CH2:51][CH2:49][C@@H:60]32)[CH2:52]1 |
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