| Properties | Image |
|---|
| MNX_ID | MNXM1138551 |
 |
| reference | envipathM:...a29d762fab55 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | FRFDFPCJRUPRGS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-17-24-32-44(55)33-25-22-23-31-40-54(62)65-45(42-63-52(60)38-29-20-14-18-27-35-47(57)46(56)34-26-16-11-8-5-2)43-64-53(61)39-30-21-15-19-28-36-48(58)49(59)41-51-50(66-51)37-9-6-3/h16,24,26,32,44-48,50-51,55-58H,4-15,17-23,25,27-31,33-43H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(=O)CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-17-24-32-44(55)33-25-22-23-31-40-54(62)65-45(42-63-52(60)38-29-20-14-18-27-35-47(57)46(56)34-26-16-11-8-5-2)43-64-53(61)39-30-21-15-19-28-36-48(58)49(59)41-51-50(66-51)37-9-6-3/h16,24,26,32,44-48,50-51,55-58H,4-15,17-23,25,27-31,33-43H2,1-3H3/b26-16?,32-24?/t44?,45?,46?,47?,48?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][CH:44]([CH2:33][CH2:25][CH2:22][CH2:23][CH2:31][CH2:40][C:54](=[O:62])[O:65][CH:45]([CH2:42][O:63][C:52]([CH2:38][CH2:29][CH2:20][CH2:14][CH2:18][CH2:27][CH2:35][CH:47]([CH:46]([CH2:34][CH:26]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[OH:57])=[O:60])[CH2:43][O:64][C:53]([CH2:39][CH2:30][CH2:21][CH2:15][CH2:19][CH2:28][CH2:36][CH:48]([C:49]([CH2:41][CH:51]1[CH:50]([CH2:37][CH2:9][CH2:6][CH3:3])[O:66]1)=[O:59])[OH:58])=[O:61])[OH:55] |
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