| Properties | Image |
|---|
| MNX_ID | MNXM1138822 |
 |
| reference | envipathM:...3790d44ab21f |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | QUKOYPHQAJKTOF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-23-30-36-46(57)54(61)64-43(41-62-49(58)39-32-26-20-24-29-35-45(56)44(55)34-28-22-11-8-5-2)42-63-50(59)40-33-27-21-25-31-38-48-53(66-48)51(60)52-47(65-52)37-9-6-3/h15-16,22,28,43-48,52-53,55-57H,4-14,17-21,23-27,29-42H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(=O)C1OC1CCCC)OC(=O)C(O)CCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-23-30-36-46(57)54(61)64-43(41-62-49(58)39-32-26-20-24-29-35-45(56)44(55)34-28-22-11-8-5-2)42-63-50(59)40-33-27-21-25-31-38-48-53(66-48)51(60)52-47(65-52)37-9-6-3/h15-16,22,28,43-48,52-53,55-57H,4-14,17-21,23-27,29-42H2,1-3H3/b16-15?,28-22?/t43?,44?,45?,46?,47?,48?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:30][CH2:36][CH:46]([C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:49]([CH2:39][CH2:32][CH2:26][CH2:20][CH2:24][CH2:29][CH2:35][CH:45]([CH:44]([CH2:34][CH:28]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:58])[CH2:42][O:63][C:50]([CH2:40][CH2:33][CH2:27][CH2:21][CH2:25][CH2:31][CH2:38][CH:48]1[CH:53]([C:51]([CH:52]2[CH:47]([CH2:37][CH2:9][CH2:6][CH3:3])[O:65]2)=[O:60])[O:66]1)=[O:59])[OH:57] |
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