| Properties | Image |
|---|
| MNX_ID | MNXM106144 |
 |
| reference | chebi:66572 |
| formula | C25H36O7 |
| global charge | 0 |
| mol weight | 448.556 |
| InChIKey | WREVESBXGFRQJD-PHRJMFLCSA-N |
| InChI | InChI=1S/C25H36O7/c1-12-10-23(29)24(30,22(28)15(4)8-18-19(26)9-14(3)21(18)27)20-13(2)6-7-17(20)16(5)25(23,31)32-11-12/h9-10,13,15-20,26,29-31H,6-8,11H2,1-5H3/t13-,15+,16-,17-,18+,19-,20+,23-,24-,25-/m1/s1 |
| SMILES | CC1=C[C@]2(O)[C@](O)(OC1)[C@H](C)[C@H]1CC[C@@H](C)[C@@H]1[C@@]2(O)C(=O)[C@@H](C)C[C@@H]1C(=O)C(C)=C[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C25H36O7/c1-12-10-23(29)24(30,22(28)15(4)8-18-19(26)9-14(3)21(18)27)20-13(2)6-7-17(20)16(5)25(23,31)32-11-12/h9-10,13,15-20,26,29-31H,6-8,11H2,1-5H3/t13-,15+,16-,17-,18+,19-,20+,23-,24-,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12]1=[CH:10][C@@:23]2([OH:29])[C@@:24]([C:22]([C@@H:15]([CH3:4])[CH2:8][C@H:18]3[C@H:19]([OH:26])[CH:9]=[C:14]([CH3:3])[C:21]3=[O:27])=[O:28])([OH:30])[C@H:20]3[C@H:13]([CH3:2])[CH2:6][CH2:7][C@@H:17]3[C@@H:16]([CH3:5])[C@@:25]2([OH:31])[O:32][CH2:11]1 |
|