| Properties | Image |
|---|
| MNX_ID | MNXM1191827 |
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| reference | envipathM:...ce54cbb333f8 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | QHRSPYXTRNCAAS-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-5-7-10-15-20-30(39)31(40)21-16-11-8-13-18-24-36(41)43-27-29(38)28-44-37(42)25-19-14-9-12-17-23-33-35(46-33)26-34-32(45-34)22-6-4-2/h10,15,29,32-35,38H,3-9,11-14,16-28H2,1-2H3 |
| SMILES | CCCCC=CCC(=O)C(=O)CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-7-10-15-20-30(39)31(40)21-16-11-8-13-18-24-36(41)43-27-29(38)28-44-37(42)25-19-14-9-12-17-23-33-35(46-33)26-34-32(45-34)22-6-4-2/h10,15,29,32-35,38H,3-9,11-14,16-28H2,1-2H3/b15-10?/t29?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:10]=[CH:15][CH2:20][C:30]([C:31]([CH2:21][CH2:16][CH2:11][CH2:8][CH2:13][CH2:18][CH2:24][C:36](=[O:41])[O:43][CH2:27][CH:29]([CH2:28][O:44][C:37]([CH2:25][CH2:19][CH2:14][CH2:9][CH2:12][CH2:17][CH2:23][CH:33]1[CH:35]([CH2:26][CH:34]2[CH:32]([CH2:22][CH2:6][CH2:4][CH3:2])[O:45]2)[O:46]1)=[O:42])[OH:38])=[O:40])=[O:39] |
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