| Properties | Image |
|---|
| MNX_ID | MNXM1181652 |
 |
| reference | envipathM:...5664e51298a9 |
| formula | C37H66O9 |
| global charge | 0 |
| mol weight | 654.926 |
| InChIKey | RUYRVDKWHJYFTF-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O9/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-26-33(41)37(43)45-30(28-38)29-44-34(42)27-23-19-18-21-25-32(40)36-35(46-36)31(39)24-20-8-6-4-2/h12-13,20,24,30-33,35-36,38-41H,3-11,14-19,21-23,25-29H2,1-2H3 |
| SMILES | CCCCC=CC(O)C1OC1C(O)CCCCCCC(=O)OCC(CO)OC(=O)C(O)CCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O9/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-26-33(41)37(43)45-30(28-38)29-44-34(42)27-23-19-18-21-25-32(40)36-35(46-36)31(39)24-20-8-6-4-2/h12-13,20,24,30-33,35-36,38-41H,3-11,14-19,21-23,25-29H2,1-2H3/b13-12?,24-20?/t30?,31?,32?,33?,35?,36? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:22][CH2:26][CH:33]([C:37](=[O:43])[O:45][CH:30]([CH2:28][OH:38])[CH2:29][O:44][C:34]([CH2:27][CH2:23][CH2:19][CH2:18][CH2:21][CH2:25][CH:32]([CH:36]1[CH:35]([CH:31]([CH:24]=[CH:20][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[O:46]1)[OH:40])=[O:42])[OH:41] |
|