| Properties | Image |
|---|
| MNX_ID | MNXM105028 |
 |
| reference | chebi:69718 |
| formula | C31H42O11 |
| global charge | 0 |
| mol weight | 590.666 |
| InChIKey | KQHUWYDTRJJUNN-PQYRSBDGSA-N |
| InChI | InChI=1S/C31H42O11/c1-10-23(36)41-25-16(4)13-31(42-20(8)35)24(25)27(39-18(6)33)30-14-37-29(9,28(31)40-19(7)34)26(30)21(15(2)3)11-12-22(30)38-17(5)32/h11-12,16,21-22,24-28H,2,10,13-14H2,1,3-9H3/t16-,21+,22+,24+,25-,26-,27+,28?,29?,30+,31+/m0/s1 |
| SMILES | C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@@]23CO[C@@](C)(C(OC(C)=O)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C31H42O11/c1-10-23(36)41-25-16(4)13-31(42-20(8)35)24(25)27(39-18(6)33)30-14-37-29(9,28(31)40-19(7)34)26(30)21(15(2)3)11-12-22(30)38-17(5)32/h11-12,16,21-22,24-28H,2,10,13-14H2,1,3-9H3/t16-,21+,22+,24+,25-,26-,27+,28?,29?,30+,31+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][C:23](=[O:36])[O:41][C@H:25]1[C@@H:16]([CH3:4])[CH2:13][C@@:31]2([O:42][C:20]([CH3:8])=[O:35])[C@H:24]1[C@@H:27]([O:39][C:18]([CH3:6])=[O:33])[C@@:30]13[CH2:14][O:37][C:29]([CH3:9])([C@@H:26]1[C@@H:21]([C:15](=[CH2:2])[CH3:3])[CH:11]=[CH:12][C@H:22]3[O:38][C:17]([CH3:5])=[O:32])[CH:28]2[O:40][C:19]([CH3:7])=[O:34] |
|