input word = C00049211

Metabolite InformationStructural formula
Name Lup-20(29)-ene-2alpha,3beta-diol
Formula C30H50O2
Mw 442.38108084
CAS RN 61448-03-1
C_ID C00049211 ,
InChIKey OESLKRXCBRUCJZ-VIGSCVHZNA-N
InChICode InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-29(7)20(24(19)27)9-10-23-28(6)17-21(31)25(32)26(3,4)22(28)12-14-30(23,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24-,25-,27+,28-,29+,30+/m0/s1
SMILES [C@H]12[C@@](CC[C@@]3([C@H]1[C@@H](CC3)C(=C)C)C)([C@]1([C@H](CC2)[C@@]2([C@@H](CC1)C([C@H]([C@@H](C2)O)O)(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePterocarpus santalinus Ref.
PlantaeLabiataeMarsypianthes chamaedrys Ref.
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OrganismMarsypianthes chamaedrys
ReferenceMenezes,Phytochem.,48,(1998),323