| Properties | Image |
|---|
| MNX_ID | MNXM1196890 |
 |
| reference | envipathM:...ef438b96a622 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | PFUWZYQMCOOFJE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-53(61)64-44(42-62-51(59)37-29-22-17-19-26-33-45(56)47(58)41-50-48(65-50)35-6-4-2)43-63-52(60)38-30-23-18-20-28-36-49-54(66-49)46(57)34-27-24-25-32-40-55/h8-9,11-12,27,34,40,44-50,54,56-58H,3-7,10,13-26,28-33,35-39,41-43H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC=O |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-53(61)64-44(42-62-51(59)37-29-22-17-19-26-33-45(56)47(58)41-50-48(65-50)35-6-4-2)43-63-52(60)38-30-23-18-20-28-36-49-54(66-49)46(57)34-27-24-25-32-40-55/h8-9,11-12,27,34,40,44-50,54,56-58H,3-7,10,13-26,28-33,35-39,41-43H2,1-2H3/b9-8?,12-11?,34-27?/t44?,45?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:31][CH2:39][C:53](=[O:61])[O:64][CH:44]([CH2:42][O:62][C:51]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:26][CH2:33][CH:45]([CH:47]([CH2:41][CH:50]1[CH:48]([CH2:35][CH2:6][CH2:4][CH3:2])[O:65]1)[OH:58])[OH:56])=[O:59])[CH2:43][O:63][C:52]([CH2:38][CH2:30][CH2:23][CH2:18][CH2:20][CH2:28][CH2:36][CH:49]1[CH:54]([CH:46]([CH:34]=[CH:27][CH2:24][CH2:25][CH2:32][CH:40]=[O:55])[OH:57])[O:66]1)=[O:60] |
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