| Properties | Image |
|---|
| MNX_ID | MNXM1182689 |
 |
| reference | envipathM:...0fa197575080 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | JIYWPFRHYOJIDS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-16-25-33-48-49(66-48)34-26-19-15-22-28-36-53(61)64-42-45(65-54(62)37-29-20-13-11-9-8-10-12-17-23-30-43(56)38-44(57)40-55)41-63-52(60)35-27-21-14-18-24-31-46(58)47(59)39-51-50(67-51)32-6-4-2/h10,12,23,30,43-51,55-59H,3-9,11,13-22,24-29,31-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)CC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-16-25-33-48-49(66-48)34-26-19-15-22-28-36-53(61)64-42-45(65-54(62)37-29-20-13-11-9-8-10-12-17-23-30-43(56)38-44(57)40-55)41-63-52(60)35-27-21-14-18-24-31-46(58)47(59)39-51-50(67-51)32-6-4-2/h10,12,23,30,43-51,55-59H,3-9,11,13-22,24-29,31-42H2,1-2H3/b12-10?,30-23?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:16][CH2:25][CH2:33][CH:48]1[CH:49]([CH2:34][CH2:26][CH2:19][CH2:15][CH2:22][CH2:28][CH2:36][C:53](=[O:61])[O:64][CH2:42][CH:45]([CH2:41][O:63][C:52]([CH2:35][CH2:27][CH2:21][CH2:14][CH2:18][CH2:24][CH2:31][CH:46]([CH:47]([CH2:39][CH:51]2[CH:50]([CH2:32][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:59])[OH:58])=[O:60])[O:65][C:54]([CH2:37][CH2:29][CH2:20][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:17][CH:23]=[CH:30][CH:43]([CH2:38][CH:44]([CH2:40][OH:55])[OH:57])[OH:56])=[O:62])[O:66]1 |
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