| Properties | Image |
|---|
| MNX_ID | MNXM1180484 |
 |
| reference | envipathM:...9208a4af46c4 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | RJQSSQVIDIGGIF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-33-50-51(67-50)39-47(59)46(58)31-23-17-14-20-25-36-52(60)63-40-43(65-54(62)38-27-19-13-11-9-8-10-12-16-22-30-42(55)29-5-2)41-64-53(61)37-26-21-15-18-24-34-48-49(66-48)35-28-32-45(57)44(56)6-3/h10,12,22,28,30,32,42-43,45-51,55,57-59H,4-9,11,13-21,23-27,29,31,33-41H2,1-3H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)C(=O)CC)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-33-50-51(67-50)39-47(59)46(58)31-23-17-14-20-25-36-52(60)63-40-43(65-54(62)38-27-19-13-11-9-8-10-12-16-22-30-42(55)29-5-2)41-64-53(61)37-26-21-15-18-24-34-48-49(66-48)35-28-32-45(57)44(56)6-3/h10,12,22,28,30,32,42-43,45-51,55,57-59H,4-9,11,13-21,23-27,29,31,33-41H2,1-3H3/b12-10?,30-22?,32-28?/t42?,43?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:33][CH:50]1[CH:51]([CH2:39][CH:47]([CH:46]([CH2:31][CH2:23][CH2:17][CH2:14][CH2:20][CH2:25][CH2:36][C:52](=[O:60])[O:63][CH2:40][CH:43]([CH2:41][O:64][C:53]([CH2:37][CH2:26][CH2:21][CH2:15][CH2:18][CH2:24][CH2:34][CH:48]2[CH:49]([CH2:35][CH:28]=[CH:32][CH:45]([C:44]([CH2:6][CH3:3])=[O:56])[OH:57])[O:66]2)=[O:61])[O:65][C:54]([CH2:38][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:8][CH:10]=[CH:12][CH2:16][CH:22]=[CH:30][CH:42]([CH2:29][CH2:5][CH3:2])[OH:55])=[O:62])[OH:58])[OH:59])[O:67]1 |
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