| Properties | Image |
|---|
| MNX_ID | MNXM52624 |
 |
| reference | chebi:135719 |
| formula | C29H44O3 |
| global charge | 0 |
| mol weight | 440.668 |
| InChIKey | TXHUMRBWIWWBGW-GVGNIZHQSA-N |
| InChI | InChI=1S/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3/t24-,25-,26+,27+,29+/m1/s1 |
| SMILES | CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(C=CC(O)=C4)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3/t24-,25-,26+,27+,29+/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:28](=[O:31])[O:32][C@H:27]1[CH2:17][CH2:16][C@H:26]2[C@@H:25]3[CH2:14][CH2:12][C:21]4=[CH:20][C:22]([OH:30])=[CH:13][CH:15]=[C:23]4[C@H:24]3[CH2:18][CH2:19][C@@:29]21[CH3:2] |
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