| Properties | Image |
|---|
| MNX_ID | MNXM1193289 |
 |
| reference | envipathM:...dc23c30f6976 |
| formula | C20H28O8 |
| global charge | 0 |
| mol weight | 396.436 |
| InChIKey | BDSXYGGMRYKUPS-MLORIQFCSA-N |
| InChI | InChI=1S/C20H28O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,14-17,21,24-26H,4-6,8H2,1-3H3/t9-,11-,14+,15-,16-,17+,18+,20-/m1/s1 |
| SMILES | CC1=C[C@]2(O[C@@H]3O[C@H](CO)C(=O)[C@H](O)[C@H]3O)C[C@@H](C)C(=O)[C@@H]2[C@](C)(O)C12CC2 |
MNX internals
| InChI (mnx) | InChI=1/C20H28O8/c1-9-6-20(28-17-15(25)14(24)13(23)11(8-21)27-17)7-10(2)19(4-5-19)18(3,26)16(20)12(9)22/h7,9,11,14-17,21,24-26H,4-6,8H2,1-3H3/t9-,11-,14+,15-,16-,17+,18+,20-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:9]1[CH2:6][C@@:20]2([O:28][C@H:17]3[C@H:15]([OH:25])[C@@H:14]([OH:24])[C:13](=[O:23])[C@@H:11]([CH2:8][OH:21])[O:27]3)[CH:7]=[C:10]([CH3:2])[C:19]3([CH2:4][CH2:5]3)[C@@:18]([CH3:3])([OH:26])[C@H:16]2[C:12]1=[O:22] |
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