| Properties | Image |
|---|
| MNX_ID | MNXM1184830 |
 |
| reference | envipathM:...5be3a883ae90 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | WYSVFGOJVGLMDG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-15-23-31-46(58)47(59)32-24-17-13-20-26-34-52(60)63-41-45(65-54(62)36-28-19-12-10-8-7-9-11-16-22-30-43(56)29-4-2)42-64-53(61)35-27-21-14-18-25-33-48-50(66-48)39-51-49(67-51)38-37-44(57)40-55/h9,11,15,22-23,30,44-51,55,57-59H,3-8,10,12-14,16-21,24-29,31-42H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCC(O)CO)OC(=O)CCCCCCCC=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-15-23-31-46(58)47(59)32-24-17-13-20-26-34-52(60)63-41-45(65-54(62)36-28-19-12-10-8-7-9-11-16-22-30-43(56)29-4-2)42-64-53(61)35-27-21-14-18-25-33-48-50(66-48)39-51-49(67-51)38-37-44(57)40-55/h9,11,15,22-23,30,44-51,55,57-59H,3-8,10,12-14,16-21,24-29,31-42H2,1-2H3/b11-9?,23-15?,30-22?/t44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:15]=[CH:23][CH2:31][CH:46]([CH:47]([CH2:32][CH2:24][CH2:17][CH2:13][CH2:20][CH2:26][CH2:34][C:52](=[O:60])[O:63][CH2:41][CH:45]([CH2:42][O:64][C:53]([CH2:35][CH2:27][CH2:21][CH2:14][CH2:18][CH2:25][CH2:33][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:38][CH2:37][CH:44]([CH2:40][OH:55])[OH:57])[O:67]2)[O:66]1)=[O:61])[O:65][C:54]([CH2:36][CH2:28][CH2:19][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:16][CH:22]=[CH:30][C:43]([CH2:29][CH2:4][CH3:2])=[O:56])=[O:62])[OH:59])[OH:58] |
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