| Properties | Image |
|---|
| MNX_ID | MNXM1137990 |
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| reference | envipathM:...be1563902879 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | JIFWVLOSWTYLMS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-20-28-36-50-51(66-50)37-29-22-19-25-31-39-53(61)64-44-45(65-54(62)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)43-63-52(60)38-30-24-18-21-27-35-47(57)49(59)42-48(58)46(56)34-6-4-2/h13,15,20,28,45-48,50-51,55-58H,3-12,14,16-19,21-27,29-44H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(=O)CC(O)C(O)CCCC)OC(=O)CCCCCCCCCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-20-28-36-50-51(66-50)37-29-22-19-25-31-39-53(61)64-44-45(65-54(62)40-32-23-16-14-12-10-8-9-11-13-15-17-26-33-41-55)43-63-52(60)38-30-24-18-21-27-35-47(57)49(59)42-48(58)46(56)34-6-4-2/h13,15,20,28,45-48,50-51,55-58H,3-12,14,16-19,21-27,29-44H2,1-2H3/b15-13?,28-20?/t45?,46?,47?,48?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:20]=[CH:28][CH2:36][CH:50]1[CH:51]([CH2:37][CH2:29][CH2:22][CH2:19][CH2:25][CH2:31][CH2:39][C:53](=[O:61])[O:64][CH2:44][CH:45]([CH2:43][O:63][C:52]([CH2:38][CH2:30][CH2:24][CH2:18][CH2:21][CH2:27][CH2:35][CH:47]([C:49]([CH2:42][CH:48]([CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[OH:56])[OH:58])=[O:59])[OH:57])=[O:60])[O:65][C:54]([CH2:40][CH2:32][CH2:23][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:26][CH2:33][CH2:41][OH:55])=[O:62])[O:66]1 |
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