| Properties | Image |
|---|
| MNX_ID | MNXM1172918 |
 |
| reference | envipathM:...8cab018666a2 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | QRQIBFISGGMRMQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-21-30-41(55)31-22-15-11-12-16-24-33-45(58)54(61)64-42(40-63-51(60)37-28-20-14-18-26-35-47-52(66-47)44(57)32-23-10-8-5-2)39-62-50(59)36-27-19-13-17-25-34-46-48(65-46)38-49-53(67-49)43(56)29-6-3/h22-23,31-32,41-49,52-53,55-58H,4-21,24-30,33-40H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)C(O)CCCCCCC=CC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-21-30-41(55)31-22-15-11-12-16-24-33-45(58)54(61)64-42(40-63-51(60)37-28-20-14-18-26-35-47-52(66-47)44(57)32-23-10-8-5-2)39-62-50(59)36-27-19-13-17-25-34-46-48(65-46)38-49-53(67-49)43(56)29-6-3/h22-23,31-32,41-49,52-53,55-58H,4-21,24-30,33-40H2,1-3H3/b31-22?,32-23?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:21][CH2:30][CH:41]([CH:31]=[CH:22][CH2:15][CH2:11][CH2:12][CH2:16][CH2:24][CH2:33][CH:45]([C:54](=[O:61])[O:64][CH:42]([CH2:39][O:62][C:50]([CH2:36][CH2:27][CH2:19][CH2:13][CH2:17][CH2:25][CH2:34][CH:46]1[CH:48]([CH2:38][CH:49]2[CH:53]([CH:43]([CH2:29][CH2:6][CH3:3])[OH:56])[O:67]2)[O:65]1)=[O:59])[CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:20][CH2:14][CH2:18][CH2:26][CH2:35][CH:47]1[CH:52]([CH:44]([CH:32]=[CH:23][CH2:10][CH2:8][CH2:5][CH3:2])[OH:57])[O:66]1)=[O:60])[OH:58])[OH:55] |
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