CID 85242228

Gamma-eudesmol rhamnoside

Structural Information

Molecular Formula
C21H36O5
SMILES
CC1C(C(C(C(O1)OC(C)(C)C2CCC3(CCCC(=C3C2)C)C)O)O)O
InChI
InChI=1S/C21H36O5/c1-12-7-6-9-21(5)10-8-14(11-15(12)21)20(3,4)26-19-18(24)17(23)16(22)13(2)25-19/h13-14,16-19,22-24H,6-11H2,1-5H3
InChIKey
QKXSRJAHTPTJNG-UHFFFAOYSA-N
Compound name
2-[2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-yloxy]-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.2563 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.26358 188.7
[M+Na]+ 391.24552 196.9
[M+NH4]+ 386.29012 196.3
[M+K]+ 407.21946 191.3
[M-H]- 367.24902 191.3
[M+Na-2H]- 389.23097 189.9
[M]+ 368.25575 190.6
[M]- 368.25685 190.6
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