| Properties | Image |
|---|
| MNX_ID | MNXM1182492 |
 |
| reference | envipathM:...d64403850fbe |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | CKUZHMYAPZXBBD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-14-23-32-45(57)46(58)33-24-16-12-18-26-35-51(60)63-40-44(65-53(62)37-28-20-11-15-22-31-43(56)38-42(55)30-21-10-8-5-2)41-64-52(61)36-27-19-13-17-25-34-48-49(66-48)39-50-54(67-50)47(59)29-6-3/h14,21,23,30,43-50,54,56-59H,4-13,15-20,22,24-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC(O)CC(=O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-14-23-32-45(57)46(58)33-24-16-12-18-26-35-51(60)63-40-44(65-53(62)37-28-20-11-15-22-31-43(56)38-42(55)30-21-10-8-5-2)41-64-52(61)36-27-19-13-17-25-34-48-49(66-48)39-50-54(67-50)47(59)29-6-3/h14,21,23,30,43-50,54,56-59H,4-13,15-20,22,24-29,31-41H2,1-3H3/b23-14?,30-21?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:14]=[CH:23][CH2:32][CH:45]([CH:46]([CH2:33][CH2:24][CH2:16][CH2:12][CH2:18][CH2:26][CH2:35][C:51](=[O:60])[O:63][CH2:40][CH:44]([CH2:41][O:64][C:52]([CH2:36][CH2:27][CH2:19][CH2:13][CH2:17][CH2:25][CH2:34][CH:48]1[CH:49]([CH2:39][CH:50]2[CH:54]([CH:47]([CH2:29][CH2:6][CH3:3])[OH:59])[O:67]2)[O:66]1)=[O:61])[O:65][C:53]([CH2:37][CH2:28][CH2:20][CH2:11][CH2:15][CH2:22][CH2:31][CH:43]([CH2:38][C:42]([CH:30]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])=[O:55])[OH:56])=[O:62])[OH:58])[OH:57] |
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