CID 75144794

64979-94-8

Structural Information

Molecular Formula
C20H30O7
SMILES
CC1CCC2(C3(CC4(C(C(=O)C2(C1O)O4)(C(CC3=O)(C(C)C)O)C)O)C)O
InChI
InChI=1S/C20H30O7/c1-10(2)17(24)8-12(21)15(4)9-19(26)16(17,5)14(23)20(27-19)13(22)11(3)6-7-18(15,20)25/h10-11,13,22,24-26H,6-9H2,1-5H3
InChIKey
IJPNDQQOKFKBRG-UHFFFAOYSA-N
Compound name
2,6,9,11-tetrahydroxy-1,5,10-trimethyl-11-propan-2-yl-8-oxatetracyclo[7.4.1.17,10.02,7]pentadecane-13,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

382.19916 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20644 183.5
[M+Na]+ 405.18838 191.6
[M-H]- 381.19188 183.4
[M+NH4]+ 400.23298 207.1
[M+K]+ 421.16232 188.4
[M+H-H2O]+ 365.19642 181.4
[M+HCOO]- 427.19736 185.4
[M+CH3COO]- 441.21301 215.9
[M+Na-2H]- 403.17383 189.6
[M]+ 382.19861 183.0
[M]- 382.19971 183.0
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

No patent data available for this compound.