| Properties | Image |
|---|
| MNX_ID | MNXM103720 |
 |
| reference | chebi:69412 |
| formula | C28H40O5 |
| global charge | 0 |
| mol weight | 456.623 |
| InChIKey | OYPWVSHNWVXFOC-NUOKWNRSSA-N |
| InChI | InChI=1S/C28H40O5/c1-5-6-16-24-17-8-7-9-18-25(29)28(32)27(31)23(4)15-11-14-21(2)12-10-13-22(3)19-20-26(30)33-24/h6-13,15-16,18-21,23-25,27-29,31-32H,5,14,17H2,1-4H3/b8-7+,12-10+,15-11+,16-6+,18-9-,20-19+,22-13+/t21-,23-,24-,25-,27-,28+/m0/s1 |
| SMILES | CC/C=C/[C@H]1C/C=C/C=C\[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)/C=C/C[C@@H](C)/C=C/C=C(C)/C=C/C(=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C28H40O5/c1-5-6-16-24-17-8-7-9-18-25(29)28(32)27(31)23(4)15-11-14-21(2)12-10-13-22(3)19-20-26(30)33-24/h6-13,15-16,18-21,23-25,27-29,31-32H,5,14,17H2,1-4H3/b8-7+,12-10+,15-11+,16-6+,18-9-,20-19+,22-13+/t21-,23-,24-,25-,27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:6]=[CH:16]/[C@H:24]1[CH2:17]/[CH:8]=[CH:7]/[CH:9]=[CH:18]\[C@H:25]([OH:29])[C@@H:28]([OH:32])[C@@H:27]([OH:31])[C@@H:23]([CH3:4])/[CH:15]=[CH:11]/[CH2:14][C@@H:21]([CH3:2])/[CH:12]=[CH:10]/[CH:13]=[C:22]([CH3:3])/[CH:19]=[CH:20]/[C:26](=[O:30])[O:33]1 |
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