| Name |
Croceaine B |
| Formula |
C27H28N2O9 |
| Mw |
524.17948051 |
| CAS RN |
800391-13-3 |
| C_ID |
C00026650
, 
|
| InChIKey |
XWXCUSAYRYQNIN-HJEKDCSZNA-N |
| InChICode |
InChI=1S/C27H28N2O9/c1-35-25(34)16-11-36-26(38-27-24(33)23(32)22(31)18(10-30)37-27)19-13(16)6-7-15(19)20-21-14(8-9-28-20)12-4-2-3-5-17(12)29-21/h2-5,7-9,11,13,18-19,22-24,26-27,29-33H,6,10H2,1H3/t13-,18-,19+,22-,23+,24+,26-,27+/m1/s1 |
| SMILES |
COC(=O)C1=CO[C@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@@H]2C(c3nccc4c3[nH]c3ccccc34)=CC[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Rubiaceae | Palicourea crocea | Ref. |
|
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