| Properties | Image |
|---|
| MNX_ID | MNXM326048 |
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| reference | slm:000206477 |
| formula | C60H112O6 |
| global charge | 0 |
| mol weight | 929.55 |
| InChIKey | PHRTURYRUUKMNM-AGQYZVBZSA-N |
| InChI | InChI=1S/C60H112O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-36-40-44-48-52-59(62)65-55-57(66-60(63)53-49-45-41-37-33-34-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-31-29-27-20-18-16-14-12-10-8-6-2/h14,16,20,27,56-57H,5-13,15,17-19,21-26,28-55H2,1-4H3/b16-14-,27-20-/t57-/m1/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C60H112O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-36-40-44-48-52-59(62)65-55-57(66-60(63)53-49-45-41-37-33-34-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-31-29-27-20-18-16-14-12-10-8-6-2/h14,16,20,27,56-57H,5-13,15,17-19,21-26,28-55H2,1-4H3/b16-14-,27-20-/t57-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH2:52][C:59](=[O:62])[O:65][CH2:55][C@@H:57]([CH2:54][O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:29]/[CH:27]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:61])[O:66][C:60]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH:56]([CH3:3])[CH3:4])=[O:63] |
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