| Properties | Image |
|---|
| MNX_ID | MNXM108431 |
 |
| reference | chebi:67680 |
| formula | C21H30O7 |
| global charge | 0 |
| mol weight | 394.464 |
| InChIKey | UHERRNNNKBWWKU-JVWDHMGKSA-N |
| InChI | InChI=1S/C21H30O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15-,16+,17-,19+,20+,21-/m1/s1 |
| SMILES | C=C1C(=O)[C@]23[C@H](O)[C@@H]1CC[C@H]2[C@@]12[C@H](OC)O[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C21H30O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15-,16+,17-,19+,20+,21-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:9]1[C@H:10]2[CH2:5][CH2:6][C@H:11]3[C@:19]45[C@@H:12]([OH:22])[CH2:7][CH2:8][C:18]([CH3:2])([CH3:3])[C@H:13]4[C@H:16]([OH:25])[C@:21]([OH:26])([C@@:20]3([C:14]1=[O:23])[C@@H:15]2[OH:24])[O:28][C@H:17]5[O:27][CH3:4] |
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