| Properties | Image |
|---|
| MNX_ID | MNXM1188330 |
 |
| reference | envipathM:...d5b2ccfa8ce5 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | OVCRCFFDTGYHOD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-23-30-42(55)38-47(59)46(58)32-25-18-15-21-27-35-52(60)63-40-43(65-54(62)37-29-20-14-12-10-9-11-13-17-24-31-45(57)44(56)6-3)41-64-53(61)36-28-22-16-19-26-34-49-51(67-49)39-50-48(66-50)33-8-5-2/h11,13,24,31,42-46,48-51,55-58H,4-10,12,14-23,25-30,32-41H2,1-3H3 |
| SMILES | CCCCCC(O)CC(=O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-23-30-42(55)38-47(59)46(58)32-25-18-15-21-27-35-52(60)63-40-43(65-54(62)37-29-20-14-12-10-9-11-13-17-24-31-45(57)44(56)6-3)41-64-53(61)36-28-22-16-19-26-34-49-51(67-49)39-50-48(66-50)33-8-5-2/h11,13,24,31,42-46,48-51,55-58H,4-10,12,14-23,25-30,32-41H2,1-3H3/b13-11?,31-24?/t42?,43?,44?,45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:23][CH2:30][CH:42]([CH2:38][C:47]([CH:46]([CH2:32][CH2:25][CH2:18][CH2:15][CH2:21][CH2:27][CH2:35][C:52](=[O:60])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:53]([CH2:36][CH2:28][CH2:22][CH2:16][CH2:19][CH2:26][CH2:34][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:61])[O:65][C:54]([CH2:37][CH2:29][CH2:20][CH2:14][CH2:12][CH2:10][CH2:9][CH:11]=[CH:13][CH2:17][CH:24]=[CH:31][CH:45]([CH:44]([CH2:6][CH3:3])[OH:56])[OH:57])=[O:62])[OH:58])=[O:59])[OH:55] |
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