| Properties | Image |
|---|
| MNX_ID | MNXM1171061 |
 |
| reference | envipathM:...0bdcfa032a8a |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | FOMFSKWBKWCKAS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-29-39-53(61)64-44(42-63-52(60)38-28-24-19-21-26-35-48-49(65-48)36-30-33-43(55)31-5-2)41-62-51(59)37-27-23-18-20-25-34-45(56)47(58)40-50-54(66-50)46(57)32-6-3/h9-10,12-13,30,33,43-50,54-58H,4-8,11,14-29,31-32,34-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)CCC)COC(=O)CCCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-29-39-53(61)64-44(42-63-52(60)38-28-24-19-21-26-35-48-49(65-48)36-30-33-43(55)31-5-2)41-62-51(59)37-27-23-18-20-25-34-45(56)47(58)40-50-54(66-50)46(57)32-6-3/h9-10,12-13,30,33,43-50,54-58H,4-8,11,14-29,31-32,34-42H2,1-3H3/b10-9?,13-12?,33-30?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:29][CH2:39][C:53](=[O:61])[O:64][CH:44]([CH2:41][O:62][C:51]([CH2:37][CH2:27][CH2:23][CH2:18][CH2:20][CH2:25][CH2:34][CH:45]([CH:47]([CH2:40][CH:50]1[CH:54]([CH:46]([CH2:32][CH2:6][CH3:3])[OH:57])[O:66]1)[OH:58])[OH:56])=[O:59])[CH2:42][O:63][C:52]([CH2:38][CH2:28][CH2:24][CH2:19][CH2:21][CH2:26][CH2:35][CH:48]1[CH:49]([CH2:36][CH:30]=[CH:33][CH:43]([CH2:31][CH2:5][CH3:2])[OH:55])[O:65]1)=[O:60] |
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