| Properties | Image |
|---|
| MNX_ID | MNXM1189975 |
 |
| reference | envipathM:...f9b66d76085a |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | ZXSFXBSGWJEEON-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-17-25-33-46-47(64-46)34-26-19-15-22-28-36-52(58)61-41-43(63-54(60)38-30-21-14-12-10-8-9-11-13-18-24-31-44(56)45(57)40-55)42-62-53(59)37-29-23-16-20-27-35-49-51(66-49)39-50-48(65-50)32-6-4-2/h9,11,18,24,43-51,55-57H,3-8,10,12-17,19-23,25-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCC(O)C(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-17-25-33-46-47(64-46)34-26-19-15-22-28-36-52(58)61-41-43(63-54(60)38-30-21-14-12-10-8-9-11-13-18-24-31-44(56)45(57)40-55)42-62-53(59)37-29-23-16-20-27-35-49-51(66-49)39-50-48(65-50)32-6-4-2/h9,11,18,24,43-51,55-57H,3-8,10,12-17,19-23,25-42H2,1-2H3/b11-9?,24-18?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:17][CH2:25][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:26][CH2:19][CH2:15][CH2:22][CH2:28][CH2:36][C:52](=[O:58])[O:61][CH2:41][CH:43]([CH2:42][O:62][C:53]([CH2:37][CH2:29][CH2:23][CH2:16][CH2:20][CH2:27][CH2:35][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:32][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:63][C:54]([CH2:38][CH2:30][CH2:21][CH2:14][CH2:12][CH2:10][CH2:8][CH:9]=[CH:11][CH2:13][CH:18]=[CH:24][CH2:31][CH:44]([CH:45]([CH2:40][OH:55])[OH:57])[OH:56])=[O:60])[O:64]1 |
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