input word = C00057722

Metabolite InformationStructural formula
Name Pseudoginsenoside RT2
Formula C41H70O14
Mw 786.47655695
CAS RN 98474-76-1
C_ID C00057722
InChIKey UGMDQWNVJMIQKD-DELYHAGJSA-N
InChICode InChI=1S/C41H70O14/c1-36(2)25(45)10-12-38(5)24-15-20(43)27-19(41(8)14-11-26(55-41)37(3,4)50)9-13-39(27,6)40(24,7)16-22(33(36)38)52-35-32(30(48)29(47)23(17-42)53-35)54-34-31(49)28(46)21(44)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,35+,38+,39+,40+,41-/m0/s1
SMILES CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C[C@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax pseudo-ginseng Ref.
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OrganismPanax pseudo-ginseng
ReferenceTanaka, O. et al., Phytochemistry, 1978, 17, 1353-1358 (Pseudoginsenoside F11)