CID 85084513

Vinaginsenoside r14

Structural Information

Molecular Formula
C41H70O15
SMILES
CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C5(CCC(O5)C(C)(CO)O)C)C)O)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)C)O)C
InChI
InChI=1S/C41H70O15/c1-36(2)25(46)9-11-37(3)24-14-20(44)27-19(41(7)13-10-26(56-41)40(6,51)18-43)8-12-38(27,4)39(24,5)15-22(33(36)37)53-35-32(30(49)29(48)23(16-42)54-35)55-34-31(50)28(47)21(45)17-52-34/h19-35,42-51H,8-18H2,1-7H3
InChIKey
OIKCVRSUBPKDNH-UHFFFAOYSA-N
Compound name
2-[2-[[17-[5-(1,2-dihydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

802.4715 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.47878 267.3
[M+Na]+ 825.46072 264.3
[M+NH4]+ 820.50532 265.3
[M+K]+ 841.43466 271.5
[M-H]- 801.46422 258.9
[M+Na-2H]- 823.44617 276.4
[M]+ 802.47095 263.7
[M]- 802.47205 263.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe