| Properties | Image |
|---|
| MNX_ID | MNXM1174203 |
 |
| reference | envipathM:...7906827fc8c6 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | BGCLVVGBDTUIFZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-8-9-13-22-31-44(56)32-23-19-20-29-39-54(61)64-45(42-62-52(59)37-27-17-10-14-24-34-48-49(65-48)35-25-16-12-21-30-40-55)43-63-53(60)38-28-18-11-15-26-36-50-51(66-50)41-47(58)46(57)33-6-4-2/h16,22,25,31,44-51,55-58H,3-15,17-21,23-24,26-30,32-43H2,1-2H3 |
| SMILES | CCCCCCCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-8-9-13-22-31-44(56)32-23-19-20-29-39-54(61)64-45(42-62-52(59)37-27-17-10-14-24-34-48-49(65-48)35-25-16-12-21-30-40-55)43-63-53(60)38-28-18-11-15-26-36-50-51(66-50)41-47(58)46(57)33-6-4-2/h16,22,25,31,44-51,55-58H,3-15,17-21,23-24,26-30,32-43H2,1-2H3/b25-16?,31-22?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:13][CH:22]=[CH:31][CH:44]([CH2:32][CH2:23][CH2:19][CH2:20][CH2:29][CH2:39][C:54](=[O:61])[O:64][CH:45]([CH2:42][O:62][C:52]([CH2:37][CH2:27][CH2:17][CH2:10][CH2:14][CH2:24][CH2:34][CH:48]1[CH:49]([CH2:35][CH:25]=[CH:16][CH2:12][CH2:21][CH2:30][CH2:40][OH:55])[O:65]1)=[O:59])[CH2:43][O:63][C:53]([CH2:38][CH2:28][CH2:18][CH2:11][CH2:15][CH2:26][CH2:36][CH:50]1[CH:51]([CH2:41][CH:47]([CH:46]([CH2:33][CH2:6][CH2:4][CH3:2])[OH:57])[OH:58])[O:66]1)=[O:60])[OH:56] |
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