| Properties | Image |
|---|
| MNX_ID | MNXM1178114 |
 |
| reference | envipathM:...8173538363d7 |
| formula | C41H68O12 |
| global charge | -2 |
| mol weight | 752.983 |
| InChIKey | LSUHZILMKJVWIC-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H70O12/c1-3-4-5-16-23-32(43)24-17-10-7-6-8-12-21-28-37(45)52-33(29-42)30-51-36(44)27-20-13-9-11-18-25-34-35(53-34)26-19-14-15-22-31(2)38(40(47)48)39(46)41(49)50/h16-17,23-24,31-35,38-39,42-43,46H,3-15,18-22,25-30H2,1-2H3,(H,47,48)(H,49,50)/p-2 |
| SMILES | CCCCC=CC(O)C=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1CCCCCC(C)C(C(=O)[O-])C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H70O12/c1-3-4-5-16-23-32(43)24-17-10-7-6-8-12-21-28-37(45)52-33(29-42)30-51-36(44)27-20-13-9-11-18-25-34-35(53-34)26-19-14-15-22-31(2)38(40(47)48)39(46)41(49)50/h16-17,23-24,31-35,38-39,42-43,46H,3-15,18-22,25-30H2,1-2H3,(H,47,48)(H,49,50)/b23-16?,24-17?/t31?,32?,33?,34?,35?,38?,39? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH:16]=[CH:23][CH:32]([CH:24]=[CH:17][CH2:10][CH2:7][CH2:6][CH2:8][CH2:12][CH2:21][CH2:28][C:37](=[O:45])[O:52][CH:33]([CH2:29][OH:42])[CH2:30][O:51][C:36]([CH2:27][CH2:20][CH2:13][CH2:9][CH2:11][CH2:18][CH2:25][CH:34]1[CH:35]([CH2:26][CH2:19][CH2:14][CH2:15][CH2:22][CH:31]([CH3:2])[CH:38]([CH:39]([C:41](=[O:49])[OH:50])[OH:46])[C:40](=[O:47])[OH:48])[O:53]1)=[O:44])[OH:43] |
|