| Properties | Image |
|---|
| MNX_ID | MNXM1190499 |
 |
| reference | envipathM:...311a35dd8234 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | JKJWXUMENXUIFK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-10-21-31-46-47(64-46)32-22-11-8-13-24-34-52(58)61-41-45(63-54(60)36-26-16-15-19-28-43(56)37-38-44(57)29-20-17-18-27-39-55)42-62-53(59)35-25-14-9-12-23-33-49-51(66-49)40-50-48(65-50)30-6-4-2/h20,29,43-51,55-57H,3-19,21-28,30-42H2,1-2H3 |
| SMILES | CCCCCCCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)CCC(O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-10-21-31-46-47(64-46)32-22-11-8-13-24-34-52(58)61-41-45(63-54(60)36-26-16-15-19-28-43(56)37-38-44(57)29-20-17-18-27-39-55)42-62-53(59)35-25-14-9-12-23-33-49-51(66-49)40-50-48(65-50)30-6-4-2/h20,29,43-51,55-57H,3-19,21-28,30-42H2,1-2H3/b29-20?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:10][CH2:21][CH2:31][CH:46]1[CH:47]([CH2:32][CH2:22][CH2:11][CH2:8][CH2:13][CH2:24][CH2:34][C:52](=[O:58])[O:61][CH2:41][CH:45]([CH2:42][O:62][C:53]([CH2:35][CH2:25][CH2:14][CH2:9][CH2:12][CH2:23][CH2:33][CH:49]2[CH:51]([CH2:40][CH:50]3[CH:48]([CH2:30][CH2:6][CH2:4][CH3:2])[O:65]3)[O:66]2)=[O:59])[O:63][C:54]([CH2:36][CH2:26][CH2:16][CH2:15][CH2:19][CH2:28][CH:43]([CH2:37][CH2:38][CH:44]([CH:29]=[CH:20][CH2:17][CH2:18][CH2:27][CH2:39][OH:55])[OH:57])[OH:56])=[O:60])[O:64]1 |
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