CID 215272

5,6-o-isopropylidene-7-ketolyoniol-b

Structural Information

Molecular Formula
C23H34O6
SMILES
CC1(C2C(O2)C3C14C(C(=O)C56CC(CCC5C3(C)O)C(C6)(C)O)OC(O4)(C)C)C
InChI
InChI=1S/C23H34O6/c1-18(2)16-13(27-16)14-21(6,26)12-8-7-11-9-22(12,10-20(11,5)25)15(24)17-23(14,18)29-19(3,4)28-17/h11-14,16-17,25-26H,7-10H2,1-6H3
InChIKey
UHUSLBDOCJKBAS-UHFFFAOYSA-N
Compound name
13,18-dihydroxy-5,5,8,8,13,18-hexamethyl-4,6,10-trioxahexacyclo[15.2.1.01,14.03,7.07,12.09,11]icosan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.23553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.24281 178.6
[M+Na]+ 429.22475 188.9
[M-H]- 405.22825 186.3
[M+NH4]+ 424.26935 198.6
[M+K]+ 445.19869 185.5
[M+H-H2O]+ 389.23279 178.7
[M+HCOO]- 451.23373 179.1
[M+CH3COO]- 465.24938 187.9
[M+Na-2H]- 427.21020 182.1
[M]+ 406.23498 183.8
[M]- 406.23608 183.8
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.