CID 14191190

Yucalexin b'11

Structural Information

Molecular Formula
C19H26O3
SMILES
CC1(C2CCC34CC(C=C3)(C(=O)CC4C2(C(C1=O)O)C)C)C
InChI
InChI=1S/C19H26O3/c1-16(2)11-5-6-19-8-7-17(3,10-19)13(20)9-12(19)18(11,4)15(22)14(16)21/h7-8,11-12,15,22H,5-6,9-10H2,1-4H3
InChIKey
BSGGRZQAABTTBE-UHFFFAOYSA-N
Compound name
7-hydroxy-5,5,8,12-tetramethyltetracyclo[10.2.1.01,9.04,8]pentadec-13-ene-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 170.2
[M+Na]+ 325.17742 180.1
[M-H]- 301.18092 174.3
[M+NH4]+ 320.22202 199.6
[M+K]+ 341.15136 173.8
[M+H-H2O]+ 285.18546 166.7
[M+HCOO]- 347.18640 182.5
[M+CH3COO]- 361.20205 181.6
[M+Na-2H]- 323.16287 172.7
[M]+ 302.18765 169.3
[M]- 302.18875 169.3
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.