| Properties | Image |
|---|
| MNX_ID | MNXM1195205 |
 |
| reference | envipathM:...51c236484b0c |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | ZPHZGFHAIPEUEY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-14-22-30-45(57)46(58)31-23-16-13-18-26-35-52(60)63-40-44(65-53(61)36-27-17-12-10-11-15-21-29-43(56)38-37-42(55)28-6-3)41-64-54(62)47(59)32-24-19-20-25-34-49-51(67-49)39-50-48(66-50)33-8-5-2/h14,21-22,29,37-38,43-51,56-59H,4-13,15-20,23-28,30-36,39-41H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-14-22-30-45(57)46(58)31-23-16-13-18-26-35-52(60)63-40-44(65-53(61)36-27-17-12-10-11-15-21-29-43(56)38-37-42(55)28-6-3)41-64-54(62)47(59)32-24-19-20-25-34-49-51(67-49)39-50-48(66-50)33-8-5-2/h14,21-22,29,37-38,43-51,56-59H,4-13,15-20,23-28,30-36,39-41H2,1-3H3/b22-14?,29-21?,38-37?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:14]=[CH:22][CH2:30][CH:45]([CH:46]([CH2:31][CH2:23][CH2:16][CH2:13][CH2:18][CH2:26][CH2:35][C:52](=[O:60])[O:63][CH2:40][CH:44]([CH2:41][O:64][C:54]([CH:47]([CH2:32][CH2:24][CH2:19][CH2:20][CH2:25][CH2:34][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:33][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)[OH:59])=[O:62])[O:65][C:53]([CH2:36][CH2:27][CH2:17][CH2:12][CH2:10][CH2:11][CH2:15][CH:21]=[CH:29][CH:43]([CH:38]=[CH:37][C:42]([CH2:28][CH2:6][CH3:3])=[O:55])[OH:56])=[O:61])[OH:58])[OH:57] |
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