| Properties | Image |
|---|
| MNX_ID | MNXM102136 |
 |
| reference | chebi:65734 |
| formula | C32H46O9 |
| global charge | 0 |
| mol weight | 574.711 |
| InChIKey | MJWBKZJOFFGTCD-ZSCKLWMASA-N |
| InChI | InChI=1S/C32H46O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h7,14,17,20-23,26-29,35-36H,6,8-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,26-,27+,28-,29-,30-,31+,32-/m0/s1 |
| SMILES | CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC=C4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C32H46O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h7,14,17,20-23,26-29,35-36H,6,8-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,26-,27+,28-,29-,30-,31+,32-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]1[C@H:26]([OH:35])[C@@H:27]([O:37][CH3:5])[C@H:28]([O:40][C:18]([CH3:2])=[O:33])[C@H:29]([O:41][C@H:21]2[CH2:8][CH2:11][C@@:30]3([CH3:3])[C@H:20]([CH2:6][CH:7]=[C:24]4[C@@H:23]3[CH2:9][CH2:12][C@:31]3([CH3:4])[C@@H:22]([C:19]5=[CH:14][C:25](=[O:34])[O:38][CH2:16]5)[CH2:10][CH2:13][C@:32]43[OH:36])[CH2:15]2)[O:39]1 |
|