| Properties | Image |
|---|
| MNX_ID | MNXM1184124 |
 |
| reference | envipathM:...8657af694243 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | QSMJQDVEOQNBLG-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-5-19-29(39)25-30(40)20-15-11-8-7-9-13-18-24-37(42)44-31(27-38)28-43-36(41)23-17-14-10-12-16-22-33-35(46-33)26-34-32(45-34)21-6-4-2/h15,20,31-35,38H,3-14,16-19,21-28H2,1-2H3 |
| SMILES | CCCCC(=O)CC(=O)C=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-19-29(39)25-30(40)20-15-11-8-7-9-13-18-24-37(42)44-31(27-38)28-43-36(41)23-17-14-10-12-16-22-33-35(46-33)26-34-32(45-34)21-6-4-2/h15,20,31-35,38H,3-14,16-19,21-28H2,1-2H3/b20-15?/t31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:19][C:29]([CH2:25][C:30]([CH:20]=[CH:15][CH2:11][CH2:8][CH2:7][CH2:9][CH2:13][CH2:18][CH2:24][C:37](=[O:42])[O:44][CH:31]([CH2:27][OH:38])[CH2:28][O:43][C:36]([CH2:23][CH2:17][CH2:14][CH2:10][CH2:12][CH2:16][CH2:22][CH:33]1[CH:35]([CH2:26][CH:34]2[CH:32]([CH2:21][CH2:6][CH2:4][CH3:2])[O:45]2)[O:46]1)=[O:41])=[O:40])=[O:39] |
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