| Properties | Image |
|---|
| MNX_ID | MNXM104810 |
 |
| reference | chebi:65826 |
| formula | C31H42O10 |
| global charge | 0 |
| mol weight | 574.667 |
| InChIKey | NRVDOTUZYZELQD-DLZLJHGGSA-N |
| InChI | InChI=1S/C31H42O10/c1-16(32)39-23-14-30(34)20-6-5-18-12-21-22(41-31(35)24(36-4)8-10-37-27(31)40-21)13-28(18,2)19(20)7-9-29(30,3)26(23)17-11-25(33)38-15-17/h11-12,19-24,26-27,34-35H,5-10,13-15H2,1-4H3/t19-,20+,21+,22+,23-,24-,26-,27-,28-,29+,30-,31-/m0/s1 |
| SMILES | CO[C@H]1CCO[C@H]2O[C@@H]3C=C4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)[C@@H](OC(C)=O)C[C@]56O)[C@@]4(C)C[C@H]3O[C@]21O |
MNX internals
| InChI (mnx) | InChI=1/C31H42O10/c1-16(32)39-23-14-30(34)20-6-5-18-12-21-22(41-31(35)24(36-4)8-10-37-27(31)40-21)13-28(18,2)19(20)7-9-29(30,3)26(23)17-11-25(33)38-15-17/h11-12,19-24,26-27,34-35H,5-10,13-15H2,1-4H3/t19-,20+,21+,22+,23-,24-,26-,27-,28-,29+,30-,31-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:16](=[O:32])[O:39][C@H:23]1[CH2:14][C@:30]2([OH:34])[C@@H:20]3[CH2:6][CH2:5][C:18]4=[CH:12][C@@H:21]5[C@@H:22]([CH2:13][C@:28]4([CH3:2])[C@H:19]3[CH2:7][CH2:9][C@:29]2([CH3:3])[C@H:26]1[C:17]1=[CH:11][C:25](=[O:33])[O:38][CH2:15]1)[O:41][C@@:31]1([OH:35])[C@@H:24]([O:36][CH3:4])[CH2:8][CH2:10][O:37][C@H:27]1[O:40]5 |
|