| Properties | Image |
|---|
| MNX_ID | MNXM1190382 |
 |
| reference | envipathM:...5241acadcfb5 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | HMZICALUZUCTPX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-16-24-32-46(57)47(58)33-25-18-14-21-27-36-52(59)62-41-45(64-54(61)38-29-20-13-11-12-17-23-31-44(56)39-43(55)30-8-5-2)42-63-53(60)37-28-22-15-19-26-35-49-51(66-49)40-50-48(65-50)34-9-6-3/h16,23-24,31,43,45-51,55,57-58H,4-15,17-22,25-30,32-42H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(=O)CC(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-16-24-32-46(57)47(58)33-25-18-14-21-27-36-52(59)62-41-45(64-54(61)38-29-20-13-11-12-17-23-31-44(56)39-43(55)30-8-5-2)42-63-53(60)37-28-22-15-19-26-35-49-51(66-49)40-50-48(65-50)34-9-6-3/h16,23-24,31,43,45-51,55,57-58H,4-15,17-22,25-30,32-42H2,1-3H3/b24-16?,31-23?/t43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:24][CH2:32][CH:46]([CH:47]([CH2:33][CH2:25][CH2:18][CH2:14][CH2:21][CH2:27][CH2:36][C:52](=[O:59])[O:62][CH2:41][CH:45]([CH2:42][O:63][C:53]([CH2:37][CH2:28][CH2:22][CH2:15][CH2:19][CH2:26][CH2:35][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:60])[O:64][C:54]([CH2:38][CH2:29][CH2:20][CH2:13][CH2:11][CH2:12][CH2:17][CH:23]=[CH:31][C:44]([CH2:39][CH:43]([CH2:30][CH2:8][CH2:5][CH3:2])[OH:55])=[O:56])=[O:61])[OH:58])[OH:57] |
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