| Properties | Image |
|---|
| MNX_ID | MNXM1138254 |
 |
| reference | envipathM:...091c4e95949f |
| formula | C37H64O9 |
| global charge | 0 |
| mol weight | 652.91 |
| InChIKey | IODVEYTVTYYMDH-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O9/c1-3-5-6-11-17-23-34-35(46-34)24-18-13-10-15-19-25-36(42)44-29-31(28-38)45-37(43)26-20-14-9-7-8-12-16-22-32(40)33(41)27-30(39)21-4-2/h11,16-17,22,31-35,38,40-41H,3-10,12-15,18-21,23-29H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CC(O)C(O)CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O9/c1-3-5-6-11-17-23-34-35(46-34)24-18-13-10-15-19-25-36(42)44-29-31(28-38)45-37(43)26-20-14-9-7-8-12-16-22-32(40)33(41)27-30(39)21-4-2/h11,16-17,22,31-35,38,40-41H,3-10,12-15,18-21,23-29H2,1-2H3/b17-11?,22-16?/t31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:11]=[CH:17][CH2:23][CH:34]1[CH:35]([CH2:24][CH2:18][CH2:13][CH2:10][CH2:15][CH2:19][CH2:25][C:36](=[O:42])[O:44][CH2:29][CH:31]([CH2:28][OH:38])[O:45][C:37]([CH2:26][CH2:20][CH2:14][CH2:9][CH2:7][CH2:8][CH2:12][CH:16]=[CH:22][CH:32]([CH:33]([CH2:27][C:30]([CH2:21][CH2:4][CH3:2])=[O:39])[OH:41])[OH:40])=[O:43])[O:46]1 |
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