| Name |
Bianthrone 1a |
| Formula |
C50H54O8 |
| Mw |
782.3818687 |
| CAS RN |
849180-65-0 |
| C_ID |
C00029825
, 
|
| InChIKey |
UTUWDKGJRJNHEY-NFYQTQAWNA-N |
| InChICode |
InChI=1S/C50H54O8/c1-25(2)11-9-13-27(5)15-17-31-37(51)23-35-41(33-19-29(7)21-39(53)43(33)49(57)45(35)47(31)55)42-34-20-30(8)22-40(54)44(34)50(58)46-36(42)24-38(52)32(48(46)56)18-16-28(6)14-10-12-26(3)4/h11-12,15-16,19-24,41-42,51-56H,9-10,13-14,17-18H2,1-8H3/b27-15+,28-16+/t41-,42+ |
| SMILES |
c12c([C@H](c3c(C1=O)c(c(c(c3)O)C/C=C(/CCC=C(C)C)\C)O)[C@H]1c3c(C(=O)c4c1cc(c(c4O)C/C=C(\C)/CCC=C(C)C)O)c(cc(c3)C)O)cc(cc2O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Hypericaceae | Psorospermum glaberrimum | Ref. |
|
|
zoom in
|
