| Properties | Image |
|---|
| MNX_ID | MNXM41740 |
 |
| reference | keggD:D02887 |
| formula | C29H33FO6 |
| global charge | 0 |
| mol weight | 496.575 |
| InChIKey | HCKFPALGXKOOBK-NRYMJLQJSA-N |
| InChI | InChI=1S/C29H33FO6/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-31,26(21,2)15-22(33)28(20,25)30)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,11-13,20-22,24,31,33H,9-10,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27+,28-,29+/m0/s1 |
| SMILES | C[C@@]1(C2=CC=CC=C2)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C29H33FO6/c1-25-12-11-19(32)13-18(25)9-10-20-21-14-24-29(23(34)16-31,26(21,2)15-22(33)28(20,25)30)36-27(3,35-24)17-7-5-4-6-8-17/h4-8,11-13,20-22,24,31,33H,9-10,14-16H2,1-3H3/t20-,21-,22-,24+,25-,26-,27+,28-,29+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:25]12[CH:12]=[CH:11][C:19](=[O:32])[CH:13]=[C:18]1[CH2:9][CH2:10][C@H:20]1[C@@H:21]3[CH2:14][C@@H:24]4[C@:29]([C:23]([CH2:16][OH:31])=[O:34])([C@@:26]3([CH3:2])[CH2:15][C@H:22]([OH:33])[C@@:28]12[F:30])[O:36][C@:27]([CH3:3])([C:17]1=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]1)[O:35]4 |
|