CID 4483037

7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol

Structural Information

Molecular Formula
C27H42O4
SMILES
CC1C2C(CC3C2(CCC4C3CCC5C4(C(CC(C5)O)O)C)C)OC16CCC(=C)CO6
InChI
InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3
InChIKey
XLHFBXMTUNORSV-UHFFFAOYSA-N
Compound name
7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

430.30832 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.31560 208.5
[M+Na]+ 453.29754 214.4
[M+NH4]+ 448.34214 221.2
[M+K]+ 469.27148 206.5
[M-H]- 429.30104 213.2
[M+Na-2H]- 451.28299 205.5
[M]+ 430.30777 210.9
[M]- 430.30887 210.9
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

patents stripe