| Properties | Image |
|---|
| MNX_ID | MNXM1188799 |
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| reference | envipathM:...19363a809930 |
| formula | C54H91O13 |
| global charge | -1 |
| mol weight | 948.309 |
| InChIKey | YEJRGXJTPVRHRP-UHFFFAOYSA-M |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-53(60)65-43(42-64-52(59)38-30-23-18-20-28-36-48-50(67-48)40-49-47(66-49)35-6-4-2)41-63-51(58)37-29-22-17-19-25-32-44(55)45(56)33-26-24-27-34-46(57)54(61)62/h8-9,11-12,24,26,43-50,55-57H,3-7,10,13-23,25,27-42H2,1-2H3,(H,61,62)/p-1 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCC(O)C(=O)[O-])COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-39-53(60)65-43(42-64-52(59)38-30-23-18-20-28-36-48-50(67-48)40-49-47(66-49)35-6-4-2)41-63-51(58)37-29-22-17-19-25-32-44(55)45(56)33-26-24-27-34-46(57)54(61)62/h8-9,11-12,24,26,43-50,55-57H,3-7,10,13-23,25,27-42H2,1-2H3,(H,61,62)/b9-8?,12-11?,26-24?/t43?,44?,45?,46?,47?,48?,49?,50? |
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| 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:60])[O:65][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:25][CH2:32][CH:44]([CH:45]([CH2:33][CH:26]=[CH:24][CH2:27][CH2:34][CH:46]([C:54](=[O:61])[OH:62])[OH:57])[OH:56])[OH:55])=[O:58])[CH2:42][O:64][C:52]([CH2:38][CH2:30][CH2:23][CH2:18][CH2:20][CH2:28][CH2:36][CH:48]1[CH:50]([CH2:40][CH:49]2[CH:47]([CH2:35][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:59] |
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