| Properties | Image |
|---|
| MNX_ID | MNXM1138573 |
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| reference | envipathM:...70aed9b70380 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | NEWCERFSPZPRRH-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-5-6-8-14-20-34-35(46-34)21-15-9-7-10-16-22-36(42)44-29-33(28-38)45-37(43)23-17-12-11-13-19-31(40)25-27-32(41)26-24-30(39)18-4-2/h8,14,24-27,31-35,38,40-41H,3-7,9-13,15-23,28-29H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC(O)C=CC(O)C=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-6-8-14-20-34-35(46-34)21-15-9-7-10-16-22-36(42)44-29-33(28-38)45-37(43)23-17-12-11-13-19-31(40)25-27-32(41)26-24-30(39)18-4-2/h8,14,24-27,31-35,38,40-41H,3-7,9-13,15-23,28-29H2,1-2H3/b14-8?,26-24?,27-25?/t31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:8]=[CH:14][CH2:20][CH:34]1[CH:35]([CH2:21][CH2:15][CH2:9][CH2:7][CH2:10][CH2:16][CH2:22][C:36](=[O:42])[O:44][CH2:29][CH:33]([CH2:28][OH:38])[O:45][C:37]([CH2:23][CH2:17][CH2:12][CH2:11][CH2:13][CH2:19][CH:31]([CH:25]=[CH:27][CH:32]([CH:26]=[CH:24][C:30]([CH2:18][CH2:4][CH3:2])=[O:39])[OH:41])[OH:40])=[O:43])[O:46]1 |
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