| Properties | Image |
|---|
| MNX_ID | MNXM1169900 |
 |
| reference | envipathM:...1a088b27d384 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | FMFZNDUGJZOTHZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-6-9-20-33-48-49(66-48)34-21-10-7-12-23-36-52(60)63-41-45(65-54(62)38-25-15-14-17-30-44(57)31-19-16-18-29-43(56)28-4-2)42-64-53(61)37-24-13-8-11-22-35-50-51(67-50)40-47(59)46(58)32-26-27-39-55/h9,18-20,29,31,44-51,55,57-59H,3-8,10-17,21-28,30,32-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCCO)OC(=O)CCCCCCC(O)C=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-6-9-20-33-48-49(66-48)34-21-10-7-12-23-36-52(60)63-41-45(65-54(62)38-25-15-14-17-30-44(57)31-19-16-18-29-43(56)28-4-2)42-64-53(61)37-24-13-8-11-22-35-50-51(67-50)40-47(59)46(58)32-26-27-39-55/h9,18-20,29,31,44-51,55,57-59H,3-8,10-17,21-28,30,32-42H2,1-2H3/b20-9?,29-18?,31-19?/t44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:9]=[CH:20][CH2:33][CH:48]1[CH:49]([CH2:34][CH2:21][CH2:10][CH2:7][CH2:12][CH2:23][CH2:36][C:52](=[O:60])[O:63][CH2:41][CH:45]([CH2:42][O:64][C:53]([CH2:37][CH2:24][CH2:13][CH2:8][CH2:11][CH2:22][CH2:35][CH:50]2[CH:51]([CH2:40][CH:47]([CH:46]([CH2:32][CH2:26][CH2:27][CH2:39][OH:55])[OH:58])[OH:59])[O:67]2)=[O:61])[O:65][C:54]([CH2:38][CH2:25][CH2:15][CH2:14][CH2:17][CH2:30][CH:44]([CH:31]=[CH:19][CH2:16][CH:18]=[CH:29][C:43]([CH2:28][CH2:4][CH3:2])=[O:56])[OH:57])=[O:62])[O:66]1 |
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