| Properties | Image |
|---|
| MNX_ID | MNXM1190466 |
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| reference | envipathM:...22f1112f9e95 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | LCYJBVCSFFDHEU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-9-11-22-32-45-46(66-45)33-23-12-10-13-25-35-51(59)63-38-41(65-52(60)36-26-15-14-18-27-40(55)28-19-16-20-29-43(57)42(56)6-3)39-64-54(62)53(61)44(58)30-21-17-24-34-48-50(68-48)37-49-47(67-49)31-8-5-2/h11,19-20,22,28-29,40-50,53,55-58,61H,4-10,12-18,21,23-27,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)C(O)C(O)CCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-9-11-22-32-45-46(66-45)33-23-12-10-13-25-35-51(59)63-38-41(65-52(60)36-26-15-14-18-27-40(55)28-19-16-20-29-43(57)42(56)6-3)39-64-54(62)53(61)44(58)30-21-17-24-34-48-50(68-48)37-49-47(67-49)31-8-5-2/h11,19-20,22,28-29,40-50,53,55-58,61H,4-10,12-18,21,23-27,30-39H2,1-3H3/b22-11?,28-19?,29-20?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:22][CH2:32][CH:45]1[CH:46]([CH2:33][CH2:23][CH2:12][CH2:10][CH2:13][CH2:25][CH2:35][C:51](=[O:59])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:54]([CH:53]([CH:44]([CH2:30][CH2:21][CH2:17][CH2:24][CH2:34][CH:48]2[CH:50]([CH2:37][CH:49]3[CH:47]([CH2:31][CH2:8][CH2:5][CH3:2])[O:67]3)[O:68]2)[OH:58])[OH:61])=[O:62])[O:65][C:52]([CH2:36][CH2:26][CH2:15][CH2:14][CH2:18][CH2:27][CH:40]([CH:28]=[CH:19][CH2:16][CH:20]=[CH:29][CH:43]([CH:42]([CH2:6][CH3:3])[OH:56])[OH:57])[OH:55])=[O:60])[O:66]1 |
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