CID 154699852

Ns00117579

Structural Information

Molecular Formula
C20H30O7
SMILES
C[C@]12CC[C@@H]3C[C@H]1C=CC[C@]2(C3(C)C)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C20H30O7/c1-18(2)10-6-8-19(3)11(9-10)5-4-7-20(18,19)27-17-14(23)12(21)13(22)15(26-17)16(24)25/h4-5,10-15,17,21-23H,6-9H2,1-3H3,(H,24,25)/t10-,11-,12+,13+,14-,15+,17?,19+,20-/m1/s1
InChIKey
OJKXFVCQUKJUAU-MUXJQBHZSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(1R,3R,7S,8S)-2,2,8-trimethyl-3-tricyclo[5.3.1.03,8]undec-5-enyl]oxy]oxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.19916 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20644 184.4
[M+Na]+ 405.18838 190.9
[M+NH4]+ 400.23298 195.2
[M+K]+ 421.16232 182.2
[M-H]- 381.19188 183.0
[M+Na-2H]- 403.17383 181.9
[M]+ 382.19861 185.0
[M]- 382.19971 185.0
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

No patent data available for this compound.