| Properties | Image |
|---|
| MNX_ID | MNXM1171364 |
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| reference | envipathM:...e5fd9dac5624 |
| formula | C37H60O9 |
| global charge | 0 |
| mol weight | 648.878 |
| InChIKey | YZVNXCBOLNLZMH-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H60O9/c1-3-5-7-8-9-11-15-20-30(39)31(40)21-16-14-19-25-37(42)44-29(27-38)28-43-36(41)24-18-13-10-12-17-23-33-35(46-33)26-34-32(45-34)22-6-4-2/h8-9,15,20,29,32-35,38H,3-7,10-14,16-19,21-28H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(=O)C(=O)CCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H60O9/c1-3-5-7-8-9-11-15-20-30(39)31(40)21-16-14-19-25-37(42)44-29(27-38)28-43-36(41)24-18-13-10-12-17-23-33-35(46-33)26-34-32(45-34)22-6-4-2/h8-9,15,20,29,32-35,38H,3-7,10-14,16-19,21-28H2,1-2H3/b9-8?,20-15?/t29?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:11][CH:15]=[CH:20][C:30]([C:31]([CH2:21][CH2:16][CH2:14][CH2:19][CH2:25][C:37](=[O:42])[O:44][CH:29]([CH2:27][OH:38])[CH2:28][O:43][C:36]([CH2:24][CH2:18][CH2:13][CH2:10][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:41])=[O:40])=[O:39] |
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