| Properties | Image |
|---|
| MNX_ID | MNXM1187337 |
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| reference | envipathM:...71c92ac246e8 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | SUFSIZGPJFIGHY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-15-25-34-48-49(66-48)35-26-17-14-19-27-36-52(60)63-40-44(65-53(61)37-28-18-13-11-10-12-16-22-30-43(56)38-42(55)29-6-3)41-64-54(62)46(58)32-24-21-20-23-31-45(57)47(59)39-51-50(67-51)33-8-5-2/h15-16,22,25,43-51,56-59H,4-14,17-21,23-24,26-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCC(O)CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-15-25-34-48-49(66-48)35-26-17-14-19-27-36-52(60)63-40-44(65-53(61)37-28-18-13-11-10-12-16-22-30-43(56)38-42(55)29-6-3)41-64-54(62)46(58)32-24-21-20-23-31-45(57)47(59)39-51-50(67-51)33-8-5-2/h15-16,22,25,43-51,56-59H,4-14,17-21,23-24,26-41H2,1-3H3/b22-16?,25-15?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:25][CH2:34][CH:48]1[CH:49]([CH2:35][CH2:26][CH2:17][CH2:14][CH2:19][CH2:27][CH2:36][C:52](=[O:60])[O:63][CH2:40][CH:44]([CH2:41][O:64][C:54]([CH:46]([CH2:32][CH2:24][CH2:21][CH2:20][CH2:23][CH2:31][CH:45]([CH:47]([CH2:39][CH:51]2[CH:50]([CH2:33][CH2:8][CH2:5][CH3:2])[O:67]2)[OH:59])[OH:57])[OH:58])=[O:62])[O:65][C:53]([CH2:37][CH2:28][CH2:18][CH2:13][CH2:11][CH2:10][CH2:12][CH:16]=[CH:22][CH2:30][CH:43]([CH2:38][C:42]([CH2:29][CH2:6][CH3:3])=[O:55])[OH:56])=[O:61])[O:66]1 |
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