| Properties | Image |
|---|
| MNX_ID | MNXM1174832 |
 |
| reference | envipathM:...6d5fe21b4aca |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | QSHOSGOOIKVDBA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-13-22-32-48-49(66-48)33-23-16-12-19-25-35-53(61)64-42-45(65-54(62)36-26-17-10-8-9-14-20-28-43(56)37-38-44(57)29-27-39-55)41-63-52(60)34-24-18-11-15-21-30-46(58)47(59)40-51-50(67-51)31-6-4-2/h13,20,22,28,37-38,43-51,55-59H,3-12,14-19,21,23-27,29-36,39-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(O)CCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-13-22-32-48-49(66-48)33-23-16-12-19-25-35-53(61)64-42-45(65-54(62)36-26-17-10-8-9-14-20-28-43(56)37-38-44(57)29-27-39-55)41-63-52(60)34-24-18-11-15-21-30-46(58)47(59)40-51-50(67-51)31-6-4-2/h13,20,22,28,37-38,43-51,55-59H,3-12,14-19,21,23-27,29-36,39-42H2,1-2H3/b22-13?,28-20?,38-37?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:13]=[CH:22][CH2:32][CH:48]1[CH:49]([CH2:33][CH2:23][CH2:16][CH2:12][CH2:19][CH2:25][CH2:35][C:53](=[O:61])[O:64][CH2:42][CH:45]([CH2:41][O:63][C:52]([CH2:34][CH2:24][CH2:18][CH2:11][CH2:15][CH2:21][CH2:30][CH:46]([CH:47]([CH2:40][CH:51]2[CH:50]([CH2:31][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:59])[OH:58])=[O:60])[O:65][C:54]([CH2:36][CH2:26][CH2:17][CH2:10][CH2:8][CH2:9][CH2:14][CH:20]=[CH:28][CH:43]([CH:37]=[CH:38][CH:44]([CH2:29][CH2:27][CH2:39][OH:55])[OH:57])[OH:56])=[O:62])[O:66]1 |
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