| Properties | Image |
|---|
| MNX_ID | MNXM338522 |
 |
| reference | slm:000126112 |
| formula | C45H84O6 |
| global charge | 0 |
| mol weight | 721.161 |
| InChIKey | VBGLNZSXEOMTOI-HRQYBTARSA-N |
| InChI | InChI=1S/C45H84O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-44(47)50-41-42(51-45(48)39-36-33-30-25-21-18-15-12-9-6-3)40-49-43(46)37-34-31-28-26-23-20-17-14-11-8-5-2/h14,17,42H,4-13,15-16,18-41H2,1-3H3/b17-14-/t42-/m1/s1 |
| SMILES | CCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C45H84O6/c1-4-7-10-13-16-19-22-24-27-29-32-35-38-44(47)50-41-42(51-45(48)39-36-33-30-25-21-18-15-12-9-6-3)40-49-43(46)37-34-31-28-26-23-20-17-14-11-8-5-2/h14,17,42H,4-13,15-16,18-41H2,1-3H3/b17-14-/t42-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:27][CH2:29][CH2:32][CH2:35][CH2:38][C:44](=[O:47])[O:50][CH2:41][C@@H:42]([CH2:40][O:49][C:43]([CH2:37][CH2:34][CH2:31][CH2:28][CH2:26][CH2:23][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:46])[O:51][C:45]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:25][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:48] |
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