input word = C00057721

Metabolite InformationStructural formula
Name Pseudoginsenoside RT3
Formula C41H70O13
Mw 770.48164232
CAS RN 98474-75-0
C_ID C00057721
InChIKey QIVXKAIEVIJKLD-RIAYUTAXSA-N
InChICode InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(18-42)53-36)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,38+,39+,40+,41-/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax pseudo-ginseng Ref.
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OrganismPanax pseudo-ginseng
ReferenceUvarova, N.I. et al., Chem. Nat. Compd. (Engl. Transl.), 1965, 1, 63-66 (Panaxosides)