| Properties | Image |
|---|
| MNX_ID | MNXM1188092 |
 |
| reference | envipathM:...bdacd91281d8 |
| formula | C37H64O9 |
| global charge | 0 |
| mol weight | 652.91 |
| InChIKey | JBWXATSNWKKTIL-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O9/c1-3-5-6-8-17-25-34(41)35(42)26-18-9-7-10-19-27-36(43)45-30-33(29-38)46-37(44)28-20-12-11-14-23-32(40)24-16-13-15-22-31(39)21-4-2/h8,15-17,22,24,31-34,38-41H,3-7,9-14,18-21,23,25-30H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(=O)CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O9/c1-3-5-6-8-17-25-34(41)35(42)26-18-9-7-10-19-27-36(43)45-30-33(29-38)46-37(44)28-20-12-11-14-23-32(40)24-16-13-15-22-31(39)21-4-2/h8,15-17,22,24,31-34,38-41H,3-7,9-14,18-21,23,25-30H2,1-2H3/b17-8?,22-15?,24-16?/t31?,32?,33?,34? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:8]=[CH:17][CH2:25][CH:34]([C:35]([CH2:26][CH2:18][CH2:9][CH2:7][CH2:10][CH2:19][CH2:27][C:36](=[O:43])[O:45][CH2:30][CH:33]([CH2:29][OH:38])[O:46][C:37]([CH2:28][CH2:20][CH2:12][CH2:11][CH2:14][CH2:23][CH:32]([CH:24]=[CH:16][CH2:13][CH:15]=[CH:22][CH:31]([CH2:21][CH2:4][CH3:2])[OH:39])[OH:40])=[O:44])=[O:42])[OH:41] |
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