| Properties | Image |
|---|
| MNX_ID | MNXM1139087 |
 |
| reference | envipathM:...6ce822e99e83 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | OMGASYBRQKCQLO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-19-27-42(56)28-20-13-9-8-10-16-25-36-54(61)64-45(41-63-53(60)35-24-18-12-15-22-32-49-51(67-49)38-50-48(66-50)30-6-4-2)40-62-52(59)34-23-17-11-14-21-31-46-47(65-46)33-26-29-43(57)37-44(58)39-55/h19-20,26-29,42-51,55-58H,3-18,21-25,30-41H2,1-2H3 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CC(O)CO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-19-27-42(56)28-20-13-9-8-10-16-25-36-54(61)64-45(41-63-53(60)35-24-18-12-15-22-32-49-51(67-49)38-50-48(66-50)30-6-4-2)40-62-52(59)34-23-17-11-14-21-31-46-47(65-46)33-26-29-43(57)37-44(58)39-55/h19-20,26-29,42-51,55-58H,3-18,21-25,30-41H2,1-2H3/b27-19?,28-20?,29-26?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:27][CH:42]([CH:28]=[CH:20][CH2:13][CH2:9][CH2:8][CH2:10][CH2:16][CH2:25][CH2:36][C:54](=[O:61])[O:64][CH:45]([CH2:40][O:62][C:52]([CH2:34][CH2:23][CH2:17][CH2:11][CH2:14][CH2:21][CH2:31][CH:46]1[CH:47]([CH2:33][CH:26]=[CH:29][CH:43]([CH2:37][CH:44]([CH2:39][OH:55])[OH:58])[OH:57])[O:65]1)=[O:59])[CH2:41][O:63][C:53]([CH2:35][CH2:24][CH2:18][CH2:12][CH2:15][CH2:22][CH2:32][CH:49]1[CH:51]([CH2:38][CH:50]2[CH:48]([CH2:30][CH2:6][CH2:4][CH3:2])[O:66]2)[O:67]1)=[O:60])[OH:56] |
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