| Properties | Image |
|---|
| MNX_ID | MNXM1171648 |
 |
| reference | envipathM:...8cfacf09ae66 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | STPXQXYWONDZJE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-17-27-35-49-54(67-49)46(58)33-26-22-23-29-37-52(61)64-41-42(65-53(62)38-30-20-15-13-11-10-12-14-18-24-31-44(56)43(55)6-3)40-63-51(60)36-28-21-16-19-25-32-45(57)47(59)39-50-48(66-50)34-8-5-2/h12,14,17,24,27,31,42-44,46-50,54-56,58-59H,4-11,13,15-16,18-23,25-26,28-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC(=O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-17-27-35-49-54(67-49)46(58)33-26-22-23-29-37-52(61)64-41-42(65-53(62)38-30-20-15-13-11-10-12-14-18-24-31-44(56)43(55)6-3)40-63-51(60)36-28-21-16-19-25-32-45(57)47(59)39-50-48(66-50)34-8-5-2/h12,14,17,24,27,31,42-44,46-50,54-56,58-59H,4-11,13,15-16,18-23,25-26,28-30,32-41H2,1-3H3/b14-12?,27-17?,31-24?/t42?,43?,44?,46?,47?,48?,49?,50?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:27][CH2:35][CH:49]1[CH:54]([CH:46]([CH2:33][CH2:26][CH2:22][CH2:23][CH2:29][CH2:37][C:52](=[O:61])[O:64][CH2:41][CH:42]([CH2:40][O:63][C:51]([CH2:36][CH2:28][CH2:21][CH2:16][CH2:19][CH2:25][CH2:32][C:45]([CH:47]([CH2:39][CH:50]2[CH:48]([CH2:34][CH2:8][CH2:5][CH3:2])[O:66]2)[OH:59])=[O:57])=[O:60])[O:65][C:53]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH:24]=[CH:31][CH:44]([CH:43]([CH2:6][CH3:3])[OH:55])[OH:56])=[O:62])[OH:58])[O:67]1 |
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