| Properties | Image |
|---|
| MNX_ID | MNXM1191116 |
 |
| reference | envipathM:...9dce2dac57d8 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | QSQCNLZIERUUTI-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-5-6-13-20-26-34-36(46-34)32(40)24-18-16-19-25-33(41)37(43)44-29-31(28-38)45-35(42)27-21-15-12-10-8-7-9-11-14-17-23-30(39)22-4-2/h9,11,13,17,20,23,31-34,36,38,40-41H,3-8,10,12,14-16,18-19,21-22,24-29H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCC(O)C(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-6-13-20-26-34-36(46-34)32(40)24-18-16-19-25-33(41)37(43)44-29-31(28-38)45-35(42)27-21-15-12-10-8-7-9-11-14-17-23-30(39)22-4-2/h9,11,13,17,20,23,31-34,36,38,40-41H,3-8,10,12,14-16,18-19,21-22,24-29H2,1-2H3/b11-9?,20-13?,23-17?/t31?,32?,33?,34?,36? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:13]=[CH:20][CH2:26][CH:34]1[CH:36]([CH:32]([CH2:24][CH2:18][CH2:16][CH2:19][CH2:25][CH:33]([C:37](=[O:43])[O:44][CH2:29][CH:31]([CH2:28][OH:38])[O:45][C:35]([CH2:27][CH2:21][CH2:15][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:14][CH:17]=[CH:23][C:30]([CH2:22][CH2:4][CH3:2])=[O:39])=[O:42])[OH:41])[OH:40])[O:46]1 |
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