CID 73816107

Pseudoginsenoside rt3

Structural Information

Molecular Formula
C41H70O13
SMILES
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(CO5)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C
InChI
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
InChIKey
QIVXKAIEVIJKLD-UHFFFAOYSA-N
Compound name
2-[2-[3,12-dihydroxy-4,4,8,10,14-pentamethyl-6-(3,4,5-trihydroxyoxan-2-yl)oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

770.4816 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.48888 263.1
[M+Na]+ 793.47082 260.7
[M+NH4]+ 788.51542 261.4
[M+K]+ 809.44476 266.7
[M-H]- 769.47432 254.9
[M+Na-2H]- 791.45627 275.1
[M]+ 770.48105 259.8
[M]- 770.48215 259.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe