| Properties | Image |
|---|
| MNX_ID | MNXM1197291 |
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| reference | envipathM:...073f95a116f5 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | XTFREQSPOJIGBM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-28-38-49(59)64-42(39-62-48(58)37-27-21-18-19-25-34-45-46(65-45)36-29-32-41(55)30-5-2)40-63-54(61)44(57)33-24-22-23-26-35-47-52(66-47)50(60)53-51(67-53)43(56)31-6-3/h9-10,29,32,41-47,50-53,55-57,60H,4-8,11-28,30-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-28-38-49(59)64-42(39-62-48(58)37-27-21-18-19-25-34-45-46(65-45)36-29-32-41(55)30-5-2)40-63-54(61)44(57)33-24-22-23-26-35-47-52(66-47)50(60)53-51(67-53)43(56)31-6-3/h9-10,29,32,41-47,50-53,55-57,60H,4-8,11-28,30-31,33-40H2,1-3H3/b10-9?,32-29?/t41?,42?,43?,44?,45?,46?,47?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:28][CH2:38][C:49](=[O:59])[O:64][CH:42]([CH2:39][O:62][C:48]([CH2:37][CH2:27][CH2:21][CH2:18][CH2:19][CH2:25][CH2:34][CH:45]1[CH:46]([CH2:36][CH:29]=[CH:32][CH:41]([CH2:30][CH2:5][CH3:2])[OH:55])[O:65]1)=[O:58])[CH2:40][O:63][C:54]([CH:44]([CH2:33][CH2:24][CH2:22][CH2:23][CH2:26][CH2:35][CH:47]1[CH:52]([CH:50]([CH:53]2[CH:51]([CH:43]([CH2:31][CH2:6][CH3:3])[OH:56])[O:67]2)[OH:60])[O:66]1)[OH:57])=[O:61] |
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