input word = C00034804

Metabolite InformationStructural formula
Name Bisprioterone B
(+)-Bisprioterone B
Formula C39H46O5
Mw 594.33452458
CAS RN 886755-35-7
C_ID C00034804 ,
InChIKey JAOKJWAOOMRVIW-DUFDEYJUNA-N
InChICode InChI=1S/C39H46O5/c1-18(2)16-27-34(29-21(7)10-11-22-17-24(19(3)4)35(41)38(44-27)30(22)29)31-23-12-13-25-33(26(40)14-15-39(25,8)9)32(23)37(43)36(42)28(31)20(5)6/h10-13,16-17,19-20,26-27,31,34,40-42H,14-15H2,1-9H3/t26-,27+,31+,34-/m1/s1
SMILES CC(C)=C[C@H]1Oc2c(O)c(C(C)C)cc3ccc(C)c(c23)[C@@H]1[C@H]1C(C(C)C)=C(O)C(=O)c2c1ccc1c2C(O)CCC1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia prionitis Hance Ref.
zoom in