| Properties | Image |
|---|
| MNX_ID | MNXM129843 |
 |
| reference | hmdb:HMDB0034331 |
| formula | C28H44O2 |
| global charge | 0 |
| mol weight | 412.658 |
| InChIKey | RJWIGXOAUROSSK-FPLPWBNLSA-N |
| InChI | InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7- |
| SMILES | CC(C)C(C)/C=C\C(C)C1CCC2C3=C(C(O)CC21C)C1(C)CCC(O)CC1=CC3 |
MNX internals
| InChI (mnx) | InChI=1/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7-/t18?,19?,21?,23?,24?,25?,27?,28? |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[CH:18]([CH3:3])/[CH:7]=[CH:8]\[CH:19]([CH3:4])[CH:23]1[CH2:11][CH2:12][CH:24]2[C:22]3=[C:26]([CH:25]([OH:30])[CH2:16][C:28]12[CH3:6])[C:27]1([CH3:5])[CH2:14][CH2:13][CH:21]([OH:29])[CH2:15][C:20]1=[CH:9][CH2:10]3 |
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