CID 4480653

116297-31-5

Structural Information

Molecular Formula
C20H26O3
SMILES
CC12C=CC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3
InChI
InChI=1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3
InChIKey
JEKMKNDURXDJAD-UHFFFAOYSA-N
Compound name
17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1397
Patents

314.1882 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 175.2
[M+Na]+ 337.17742 184.1
[M+NH4]+ 332.22202 189.4
[M+K]+ 353.15136 175.3
[M-H]- 313.18092 178.1
[M+Na-2H]- 335.16287 177.4
[M]+ 314.18765 177.7
[M]- 314.18875 177.7
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