| Name |
3-O-Deacetylorthosiphol I
(-)-3-O-Deacetylorthosiphol I |
| Formula |
C29H36O9 |
| Mw |
528.23593275 |
| CAS RN |
619297-97-1 |
| C_ID |
C00035938
, 
|
| InChIKey |
JUOHHHMQFLSSHX-BDVDZTGGNA-N |
| InChICode |
InChI=1S/C29H36O9/c1-7-27(5)14-17(31)21-28(6)18(13-19(32)29(21,36)25(27)35)26(3,4)22(33)20(37-15(2)30)23(28)38-24(34)16-11-9-8-10-12-16/h7-12,18-23,32-33,36H,1,13-14H2,2-6H3/t18-,19+,20-,21+,22+,23-,27-,28-,29-/m0/s1 |
| SMILES |
C=C[C@@]1(C)CC(=O)[C@H]2[C@](O)(C1=O)[C@H](O)C[C@H]1C(C)(C)[C@H](O)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@]12C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Labiatae | Orthosiphon stamineus  | Ref. |
|
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