| Properties | Image |
|---|
| MNX_ID | MNXM1195695 |
 |
| reference | envipathM:...67a6d57203a5 |
| formula | C54H92O14 |
| global charge | 0 |
| mol weight | 965.316 |
| InChIKey | PAUXGNWBJAYTSP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O14/c1-4-7-10-13-25-34-46-52(67-46)43(57)31-23-16-18-26-35-49(59)63-38-41(65-54(62)51(61)42(56)30-22-15-12-14-21-29-40(55)28-20-11-8-5-2)39-64-50(60)36-27-19-17-24-32-44(58)53-48(68-53)37-47-45(66-47)33-9-6-3/h13,20-21,25,28-29,40-48,51-53,55-58,61H,4-12,14-19,22-24,26-27,30-39H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)OC(=O)C(O)C(O)CCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O14/c1-4-7-10-13-25-34-46-52(67-46)43(57)31-23-16-18-26-35-49(59)63-38-41(65-54(62)51(61)42(56)30-22-15-12-14-21-29-40(55)28-20-11-8-5-2)39-64-50(60)36-27-19-17-24-32-44(58)53-48(68-53)37-47-45(66-47)33-9-6-3/h13,20-21,25,28-29,40-48,51-53,55-58,61H,4-12,14-19,22-24,26-27,30-39H2,1-3H3/b25-13?,28-20?,29-21?/t40?,41?,42?,43?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:13]=[CH:25][CH2:34][CH:46]1[CH:52]([CH:43]([CH2:31][CH2:23][CH2:16][CH2:18][CH2:26][CH2:35][C:49](=[O:59])[O:63][CH2:38][CH:41]([CH2:39][O:64][C:50]([CH2:36][CH2:27][CH2:19][CH2:17][CH2:24][CH2:32][CH:44]([CH:53]2[CH:48]([CH2:37][CH:47]3[CH:45]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]3)[O:68]2)[OH:58])=[O:60])[O:65][C:54]([CH:51]([CH:42]([CH2:30][CH2:22][CH2:15][CH2:12][CH2:14][CH:21]=[CH:29][CH:40]([CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])[OH:61])=[O:62])[OH:57])[O:67]1 |
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