input word = C00055654

Metabolite InformationStructural formula
Name 2alpha,3alpha,23-trihydroxyurs-12-en-28-oicacid
Formula C30H48O5
Mw 488.35017464
CAS RN 103974-74-9
C_ID C00055654
InChIKey JXSVIVRDWWRQRT-SVOQGVCWSA-N
InChICode InChI=1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24-,26+,27+,28-,29-,30+/m1/s1
SMILES C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
zoom in



OrganismTripterygium wilfordii
ReferenceLv, H. et al., Fitoterapia, 137, (2019), 104190.