| Properties | Image |
|---|
| MNX_ID | MNXM1186832 |
 |
| reference | envipathM:...90e3150d915a |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | LZMWGFJQPUDIPZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-3-5-7-9-22-32-48-53(68-48)44(58)28-19-16-20-29-45(59)54(62)64-40-43(65-52(61)34-24-13-12-17-26-41(56)35-36-42(57)27-18-14-15-25-37-55)39-63-51(60)33-23-11-8-10-21-31-47-50(67-47)38-49-46(66-49)30-6-4-2/h9,18,22,27,35-36,41-50,53,55-59H,3-8,10-17,19-21,23-26,28-34,37-40H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CC(O)C=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-3-5-7-9-22-32-48-53(68-48)44(58)28-19-16-20-29-45(59)54(62)64-40-43(65-52(61)34-24-13-12-17-26-41(56)35-36-42(57)27-18-14-15-25-37-55)39-63-51(60)33-23-11-8-10-21-31-47-50(67-47)38-49-46(66-49)30-6-4-2/h9,18,22,27,35-36,41-50,53,55-59H,3-8,10-17,19-21,23-26,28-34,37-40H2,1-2H3/b22-9?,27-18?,36-35?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:22][CH2:32][CH:48]1[CH:53]([CH:44]([CH2:28][CH2:19][CH2:16][CH2:20][CH2:29][CH:45]([C:54](=[O:62])[O:64][CH2:40][CH:43]([CH2:39][O:63][C:51]([CH2:33][CH2:23][CH2:11][CH2:8][CH2:10][CH2:21][CH2:31][CH:47]2[CH:50]([CH2:38][CH:49]3[CH:46]([CH2:30][CH2:6][CH2:4][CH3:2])[O:66]3)[O:67]2)=[O:60])[O:65][C:52]([CH2:34][CH2:24][CH2:13][CH2:12][CH2:17][CH2:26][CH:41]([CH:35]=[CH:36][CH:42]([CH:27]=[CH:18][CH2:14][CH2:15][CH2:25][CH2:37][OH:55])[OH:57])[OH:56])=[O:61])[OH:59])[OH:58])[O:68]1 |
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