| Properties | Image |
MNX_ID | MNXM101441 |
 |
reference | chebi:69182 |
formula | C24H34O6 |
global charge | 0 |
mol weight | 418.53 |
InChIKey | YWWAYEWLZVNRNN-SUEPAXCESA-N |
InChI | InChI=1S/C24H34O6/c1-18-11-5-2-9-15-21-24(28)22(30-21)17-20(26)14-8-3-6-12-19(25)13-7-4-10-16-23(27)29-18/h3-4,6-10,12,15-16,18-22,24-26,28H,2,5,11,13-14,17H2,1H3/b7-4+,8-3-,12-6+,15-9?,16-10-/t18-,19-,20+,21+,22-,24+/m1/s1 |
SMILES | C[C@@H]1CCCC=C[C@@H]2O[C@H](C[C@@H](O)C/C=C\C=C\[C@@H](O)C/C=C/C=C\C(=O)O1)[C@H]2O |
MNX internals
InChI (mnx) | InChI=1/C24H34O6/c1-18-11-5-2-9-15-21-24(28)22(30-21)17-20(26)14-8-3-6-12-19(25)13-7-4-10-16-23(27)29-18/h3-4,6-10,12,15-16,18-22,24-26,28H,2,5,11,13-14,17H2,1H3/b7-4+,8-3-,12-6+,15-9?,16-10-/t18-,19-,20+,21+,22-,24+/m1/s1 |
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SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:11][CH2:5][CH2:2][CH:9]=[CH:15][C@H:21]2[C@H:24]([OH:28])[C@@H:22]([CH2:17][C@@H:20]([OH:26])[CH2:14]/[CH:8]=[CH:3]\[CH:6]=[CH:12]\[C@@H:19]([OH:25])[CH2:13]/[CH:7]=[CH:4]/[CH:10]=[CH:16]\[C:23](=[O:27])[O:29]1)[O:30]2 |
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