| Properties | Image |
|---|
| MNX_ID | MNXM1186422 |
 |
| reference | envipathM:...7eee70184d5c |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | JLOFIHTVTSCSFX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-28-42(56)38-43(57)29-20-12-8-7-9-15-26-36-53(60)64-44(40-62-52(59)35-25-16-10-13-23-34-49-51(67-49)39-50-48(66-50)31-6-4-2)41-63-54(61)45(58)30-21-17-18-24-33-47-46(65-47)32-22-14-11-19-27-37-55/h14,20,22,29,42,44-51,55-56,58H,3-13,15-19,21,23-28,30-41H2,1-2H3 |
| SMILES | CCCCC(O)CC(=O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-28-42(56)38-43(57)29-20-12-8-7-9-15-26-36-53(60)64-44(40-62-52(59)35-25-16-10-13-23-34-49-51(67-49)39-50-48(66-50)31-6-4-2)41-63-54(61)45(58)30-21-17-18-24-33-47-46(65-47)32-22-14-11-19-27-37-55/h14,20,22,29,42,44-51,55-56,58H,3-13,15-19,21,23-28,30-41H2,1-2H3/b22-14?,29-20?/t42?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:28][CH:42]([CH2:38][C:43]([CH:29]=[CH:20][CH2:12][CH2:8][CH2:7][CH2:9][CH2:15][CH2:26][CH2:36][C:53](=[O:60])[O:64][CH:44]([CH2:40][O:62][C:52]([CH2:35][CH2:25][CH2:16][CH2:10][CH2:13][CH2:23][CH2:34][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:31][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:59])[CH2:41][O:63][C:54]([CH:45]([CH2:30][CH2:21][CH2:17][CH2:18][CH2:24][CH2:33][CH:47]1[CH:46]([CH2:32][CH:22]=[CH:14][CH2:11][CH2:19][CH2:27][CH2:37][OH:55])[O:65]1)[OH:58])=[O:61])=[O:57])[OH:56] |
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