| Properties | Image |
|---|
| MNX_ID | MNXM192197 |
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| reference | slm:000131296 |
| formula | C49H90O6 |
| global charge | 0 |
| mol weight | 775.253 |
| InChIKey | RNUCJLSPPRWBCV-XJEQRWOJSA-N |
| InChI | InChI=1S/C49H90O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-29-18-15-12-9-6-3)44-53-47(50)41-38-35-32-30-27-25-22-20-17-14-11-8-5-2/h19,21,27,30,46H,4-18,20,22-26,28-29,31-45H2,1-3H3/b21-19+,30-27-/t46-/m0/s1 |
| SMILES | CCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCC)OC(=O)CCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C49H90O6/c1-4-7-10-13-16-19-21-23-24-26-28-31-33-36-39-42-48(51)54-45-46(55-49(52)43-40-37-34-29-18-15-12-9-6-3)44-53-47(50)41-38-35-32-30-27-25-22-20-17-14-11-8-5-2/h19,21,27,30,46H,4-18,20,22-26,28-29,31-45H2,1-3H3/b21-19+,30-27-/t46-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:21]/[CH2:23][CH2:24][CH2:26][CH2:28][CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][C:48](=[O:51])[O:54][CH2:45][C@H:46]([CH2:44][O:53][C:47]([CH2:41][CH2:38][CH2:35][CH2:32]/[CH:30]=[CH:27]\[CH2:25][CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:50])[O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:29][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52] |
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