| Properties | Image |
|---|
| MNX_ID | MNXM337236 |
 |
| reference | slm:000233166 |
| formula | C63H112O6 |
| global charge | 0 |
| mol weight | 965.583 |
| InChIKey | BIUPQPWWHWQCDB-YWYUNPQBSA-N |
| InChI | InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-34-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,37,39,60H,4-14,16,19,21-23,28-36,38,40-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,39-37-/t60-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-34-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,37,39,60H,4-14,16,19,21-23,28-36,38,40-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-,39-37-/t60-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42]/[CH:39]=[CH:37]\[CH2:34]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66] |
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