input word = C00032643

Metabolite InformationStructural formula
Name 3beta-Acetoxy-11alpha-hydroperoxy-12-ursene
(+)-3beta-Acetoxy-11alpha-hydroperoxy-12-ursene
Formula C32H52O4
Mw 500.38656015
CAS RN 278181-61-6
C_ID C00032643 ,
InChIKey BDOWVGURUZGRQP-PMMIBJSDNA-N
InChICode InChI=1S/C32H52O4/c1-19-10-13-29(6)16-17-31(8)22(26(29)20(19)2)18-23(36-34)27-30(7)14-12-25(35-21(3)33)28(4,5)24(30)11-15-32(27,31)9/h18-20,23-27,34H,10-17H2,1-9H3/t19-,20+,23+,24+,25+,26+,27-,29-,30+,31-,32-/m1/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@H](OO)C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeFicus microcarpa L.f. Ref.
zoom in