| Properties | Image |
|---|
| MNX_ID | MNXM1194225 |
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| reference | envipathM:...ae7089fb07d3 |
| formula | C54H96O13 |
| global charge | 0 |
| mol weight | 953.349 |
| InChIKey | WFRHXQAMNGWYGS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O13/c1-3-5-7-11-23-32-46(58)47(59)33-24-14-9-16-26-36-52(60)63-41-45(65-54(62)38-28-19-18-21-30-43(56)29-20-12-8-13-22-31-44(57)40-55)42-64-53(61)37-27-17-10-15-25-35-49-51(67-49)39-50-48(66-50)34-6-4-2/h8,11,13,23,43-51,55-59H,3-7,9-10,12,14-22,24-42H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)CCCC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O13/c1-3-5-7-11-23-32-46(58)47(59)33-24-14-9-16-26-36-52(60)63-41-45(65-54(62)38-28-19-18-21-30-43(56)29-20-12-8-13-22-31-44(57)40-55)42-64-53(61)37-27-17-10-15-25-35-49-51(67-49)39-50-48(66-50)34-6-4-2/h8,11,13,23,43-51,55-59H,3-7,9-10,12,14-22,24-42H2,1-2H3/b13-8?,23-11?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:11]=[CH:23][CH2:32][CH:46]([CH:47]([CH2:33][CH2:24][CH2:14][CH2:9][CH2:16][CH2:26][CH2:36][C:52](=[O:60])[O:63][CH2:41][CH:45]([CH2:42][O:64][C:53]([CH2:37][CH2:27][CH2:17][CH2:10][CH2:15][CH2:25][CH2:35][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:34][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:61])[O:65][C:54]([CH2:38][CH2:28][CH2:19][CH2:18][CH2:21][CH2:30][CH:43]([CH2:29][CH2:20][CH2:12][CH:8]=[CH:13][CH2:22][CH2:31][CH:44]([CH2:40][OH:55])[OH:57])[OH:56])=[O:62])[OH:59])[OH:58] |
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