| Properties | Image |
|---|
| MNX_ID | MNXM1182482 |
 |
| reference | envipathM:...35697127f134 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | XPZRVGFXKKLDRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-19-26-33-45(56)54(61)46(57)34-27-23-24-30-38-52(59)63-43-44(64-53(60)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-51(58)37-29-22-18-20-28-36-48-50(66-48)41-49-47(65-49)35-6-4-2/h8-9,13,15,19,26,44-50,55-57H,3-7,10-12,14,16-18,20-25,27-43H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(=O)C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-19-26-33-45(56)54(61)46(57)34-27-23-24-30-38-52(59)63-43-44(64-53(60)39-31-21-16-14-12-10-8-9-11-13-15-17-25-32-40-55)42-62-51(58)37-29-22-18-20-28-36-48-50(66-48)41-49-47(65-49)35-6-4-2/h8-9,13,15,19,26,44-50,55-57H,3-7,10-12,14,16-18,20-25,27-43H2,1-2H3/b9-8?,15-13?,26-19?/t44?,45?,46?,47?,48?,49?,50? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:26][CH2:33][CH:45]([C:54]([CH:46]([CH2:34][CH2:27][CH2:23][CH2:24][CH2:30][CH2:38][C:52](=[O:59])[O:63][CH2:43][CH:44]([CH2:42][O:62][C:51]([CH2:37][CH2:29][CH2:22][CH2:18][CH2:20][CH2:28][CH2:36][CH:48]1[CH:50]([CH2:41][CH:49]2[CH:47]([CH2:35][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)=[O:58])[O:64][C:53]([CH2:39][CH2:31][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:25][CH2:32][CH2:40][OH:55])=[O:60])[OH:57])=[O:61])[OH:56] |
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