| Properties | Image |
|---|
| MNX_ID | MNXM191061 |
 |
| reference | slm:000182049 |
| formula | C58H104O6 |
| global charge | 0 |
| mol weight | 897.464 |
| InChIKey | VOTHZAWBCYMUTJ-LARYFRJCSA-N |
| InChI | InChI=1S/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,30,37,40,55H,4-17,19,22,24-26,28-29,31-36,38-39,41-54H2,1-3H3/b21-18-,23-20+,30-27-,40-37-/t55-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C/CCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C58H104O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,20-21,23,27,30,37,40,55H,4-17,19,22,24-26,28-29,31-36,38-39,41-54H2,1-3H3/b21-18-,23-20+,30-27-,40-37-/t55-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26]/[CH:23]=[CH:20]/[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:34]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61] |
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