| Properties | Image |
|---|
| MNX_ID | MNXM106143 |
 |
| reference | chebi:66573 |
| formula | C25H36O6 |
| global charge | 0 |
| mol weight | 432.557 |
| InChIKey | CZSWARCYWCYVPW-SHWZWCJUSA-N |
| InChI | InChI=1S/C25H36O6/c1-13-7-9-17-16(4)25(29)19(12-23(5,6)31-25)24(28,21(13)17)22(27)14(2)8-10-18-15(3)11-20(26)30-18/h11-14,16-18,21,28-29H,7-10H2,1-6H3/t13-,14+,16-,17-,18-,21+,24-,25-/m1/s1 |
| SMILES | CC1=CC(=O)O[C@@H]1CC[C@H](C)C(=O)[C@@]1(O)C2=CC(C)(C)O[C@]2(O)[C@H](C)[C@H]2CC[C@@H](C)[C@@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C25H36O6/c1-13-7-9-17-16(4)25(29)19(12-23(5,6)31-25)24(28,21(13)17)22(27)14(2)8-10-18-15(3)11-20(26)30-18/h11-14,16-18,21,28-29H,7-10H2,1-6H3/t13-,14+,16-,17-,18-,21+,24-,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:13]1[CH2:7][CH2:9][C@@H:17]2[C@@H:16]([CH3:4])[C@:25]3([OH:29])[C:19](=[CH:12][C:23]([CH3:5])([CH3:6])[O:31]3)[C@@:24]([C:22]([C@@H:14]([CH3:2])[CH2:8][CH2:10][C@@H:18]3[C:15]([CH3:3])=[CH:11][C:20](=[O:26])[O:30]3)=[O:27])([OH:28])[C@@H:21]12 |
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