| Properties | Image |
|---|
| MNX_ID | MNXM1190007 |
 |
| reference | envipathM:...f69b1e05de28 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | HUFWCJCHXYFXFW-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-17-23-32-44(55)45(56)33-24-22-30-39-54(61)64-43(41-62-52(59)37-28-20-14-18-26-35-49-48(65-49)34-25-16-11-8-5-2)42-63-53(60)38-29-21-15-19-27-36-50-51(66-50)40-47(58)46(57)31-9-6-3/h16,23,25,32,43-44,46-51,55,57-58H,4-15,17-22,24,26-31,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)CCCCCC(=O)C(O)C=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-17-23-32-44(55)45(56)33-24-22-30-39-54(61)64-43(41-62-52(59)37-28-20-14-18-26-35-49-48(65-49)34-25-16-11-8-5-2)42-63-53(60)38-29-21-15-19-27-36-50-51(66-50)40-47(58)46(57)31-9-6-3/h16,23,25,32,43-44,46-51,55,57-58H,4-15,17-22,24,26-31,33-42H2,1-3H3/b25-16?,32-23?/t43?,44?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:17][CH:23]=[CH:32][CH:44]([C:45]([CH2:33][CH2:24][CH2:22][CH2:30][CH2:39][C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:52]([CH2:37][CH2:28][CH2:20][CH2:14][CH2:18][CH2:26][CH2:35][CH:49]1[CH:48]([CH2:34][CH:25]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:59])[CH2:42][O:63][C:53]([CH2:38][CH2:29][CH2:21][CH2:15][CH2:19][CH2:27][CH2:36][CH:50]1[CH:51]([CH2:40][CH:47]([CH:46]([CH2:31][CH2:9][CH2:6][CH3:3])[OH:57])[OH:58])[O:66]1)=[O:60])=[O:56])[OH:55] |
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