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]+ 383.206436 183.5
[M+Na]+ 405.188378 191.6
[M-H]- 381.191884 183.4
[M+NH4]+ 400.232983 207.1
[M+K]+ 421.162318 188.4
[M+H-H2O]+ 365.196420 181.4
[M+HCOO]- 427.197361 185.4
[M+CH3COO]- 441.213011 215.9
[M+Na-2H]- 403.173826 189.6
[M]+ 382.19861142 183.0
[M]- 382.19970858 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

literature stripe

Patent stripe

patents stripe