| Properties | Image |
|---|
| MNX_ID | MNXM1187529 |
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| reference | envipathM:...8ac97272210d |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | FDBOPSSRWGATGO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-14-23-33-46(57)47(58)34-24-16-12-19-26-37-52(61)64-42-45(66-54(63)39-28-18-11-9-10-15-22-32-44(56)31-21-8-6-4-2)43-65-53(62)38-27-20-13-17-25-36-50-51(67-50)41-49(60)48(59)35-29-30-40-55/h14,21-23,31-32,44-47,49-51,55-58,60H,3-13,15-20,24-30,33-43H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(=O)CCCCO)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-14-23-33-46(57)47(58)34-24-16-12-19-26-37-52(61)64-42-45(66-54(63)39-28-18-11-9-10-15-22-32-44(56)31-21-8-6-4-2)43-65-53(62)38-27-20-13-17-25-36-50-51(67-50)41-49(60)48(59)35-29-30-40-55/h14,21-23,31-32,44-47,49-51,55-58,60H,3-13,15-20,24-30,33-43H2,1-2H3/b23-14?,31-21?,32-22?/t44?,45?,46?,47?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:14]=[CH:23][CH2:33][CH:46]([CH:47]([CH2:34][CH2:24][CH2:16][CH2:12][CH2:19][CH2:26][CH2:37][C:52](=[O:61])[O:64][CH2:42][CH:45]([CH2:43][O:65][C:53]([CH2:38][CH2:27][CH2:20][CH2:13][CH2:17][CH2:25][CH2:36][CH:50]1[CH:51]([CH2:41][CH:49]([C:48]([CH2:35][CH2:29][CH2:30][CH2:40][OH:55])=[O:59])[OH:60])[O:67]1)=[O:62])[O:66][C:54]([CH2:39][CH2:28][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH:22]=[CH:32][CH:44]([CH:31]=[CH:21][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:63])[OH:58])[OH:57] |
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