| Properties | Image |
|---|
| MNX_ID | MNXM1138974 |
 |
| reference | envipathM:...f70ca686bb6e |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | KOMPPTUQZMQVGU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-17-26-34-45-46(65-45)35-27-19-16-21-29-37-49(58)62-39-41(64-50(59)38-30-20-15-13-11-10-12-14-18-24-31-43(56)42(55)6-3)40-63-54(61)44(57)32-25-22-23-28-36-48-53(67-48)51(60)52-47(66-52)33-8-5-2/h17,24,26,31,41-48,51-53,55-57,60H,4-16,18-23,25,27-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCCCCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-17-26-34-45-46(65-45)35-27-19-16-21-29-37-49(58)62-39-41(64-50(59)38-30-20-15-13-11-10-12-14-18-24-31-43(56)42(55)6-3)40-63-54(61)44(57)32-25-22-23-28-36-48-53(67-48)51(60)52-47(66-52)33-8-5-2/h17,24,26,31,41-48,51-53,55-57,60H,4-16,18-23,25,27-30,32-40H2,1-3H3/b26-17?,31-24?/t41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:26][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:27][CH2:19][CH2:16][CH2:21][CH2:29][CH2:37][C:49](=[O:58])[O:62][CH2:39][CH:41]([CH2:40][O:63][C:54]([CH:44]([CH2:32][CH2:25][CH2:22][CH2:23][CH2:28][CH2:36][CH:48]2[CH:53]([CH:51]([CH:52]3[CH:47]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]3)[OH:60])[O:67]2)[OH:57])=[O:61])[O:64][C:50]([CH2:38][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH2:12][CH2:14][CH2:18][CH:24]=[CH:31][CH:43]([CH:42]([CH2:6][CH3:3])[OH:55])[OH:56])=[O:59])[O:65]1 |
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