| Properties | Image |
|---|
| MNX_ID | MNXM1185483 |
 |
| reference | envipathM:...0a94a586301c |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | QRBWWPKMKYTBEZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-16-27-36-49-53(67-49)45(57)33-24-21-22-29-38-52(61)64-41-43(65-54(62)46(58)34-25-18-14-12-10-11-13-17-23-31-42(55)30-6-3)40-63-51(60)37-28-20-15-19-26-35-48-50(66-48)39-47(59)44(56)32-8-5-2/h11,13,16,23,27,31,42-45,47-50,53,55-57,59H,4-10,12,14-15,17-22,24-26,28-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)C(=O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-16-27-36-49-53(67-49)45(57)33-24-21-22-29-38-52(61)64-41-43(65-54(62)46(58)34-25-18-14-12-10-11-13-17-23-31-42(55)30-6-3)40-63-51(60)37-28-20-15-19-26-35-48-50(66-48)39-47(59)44(56)32-8-5-2/h11,13,16,23,27,31,42-45,47-50,53,55-57,59H,4-10,12,14-15,17-22,24-26,28-30,32-41H2,1-3H3/b13-11?,27-16?,31-23?/t42?,43?,44?,45?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:16]=[CH:27][CH2:36][CH:49]1[CH:53]([CH:45]([CH2:33][CH2:24][CH2:21][CH2:22][CH2:29][CH2:38][C:52](=[O:61])[O:64][CH2:41][CH:43]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:20][CH2:15][CH2:19][CH2:26][CH2:35][CH:48]2[CH:50]([CH2:39][CH:47]([CH:44]([CH2:32][CH2:8][CH2:5][CH3:2])[OH:56])[OH:59])[O:66]2)=[O:60])[O:65][C:54]([C:46]([CH2:34][CH2:25][CH2:18][CH2:14][CH2:12][CH2:10][CH:11]=[CH:13][CH2:17][CH:23]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:58])=[O:62])[OH:57])[O:67]1 |
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