| Properties | Image |
|---|
| MNX_ID | MNXM1170188 |
 |
| reference | envipathM:...b299c3ceb3b9 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | QBTJBUMRWBBGJB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-16-22-30-42(55)43(56)31-24-21-29-38-50(60)64-41(39-62-48(58)36-27-18-14-17-26-35-46-45(65-46)34-25-15-11-8-5-2)40-63-49(59)37-28-20-19-23-32-44(57)52-54(67-52)51(61)53-47(66-53)33-9-6-3/h12-13,22,30,41-47,51-57,61H,4-11,14-21,23-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-16-22-30-42(55)43(56)31-24-21-29-38-50(60)64-41(39-62-48(58)36-27-18-14-17-26-35-46-45(65-46)34-25-15-11-8-5-2)40-63-49(59)37-28-20-19-23-32-44(57)52-54(67-52)51(61)53-47(66-53)33-9-6-3/h12-13,22,30,41-47,51-57,61H,4-11,14-21,23-29,31-40H2,1-3H3/b13-12?,30-22?/t41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:22]=[CH:30][CH:42]([CH:43]([CH2:31][CH2:24][CH2:21][CH2:29][CH2:38][C:50](=[O:60])[O:64][CH:41]([CH2:39][O:62][C:48]([CH2:36][CH2:27][CH2:18][CH2:14][CH2:17][CH2:26][CH2:35][CH:46]1[CH:45]([CH2:34][CH2:25][CH2:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:58])[CH2:40][O:63][C:49]([CH2:37][CH2:28][CH2:20][CH2:19][CH2:23][CH2:32][CH:44]([CH:52]1[CH:54]([CH:51]([CH:53]2[CH:47]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:61])[O:67]1)[OH:57])=[O:59])[OH:56])[OH:55] |
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