CID 10355909

9beta-pimara-7,15-diene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@]1(CC[C@@H]2C(=CC[C@@H]3[C@@]2(CCCC3(C)C)C)C1)C=C
InChI
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20-/m1/s1
InChIKey
VCOVNILQQQZROK-PIKOESSRSA-N
Compound name
(2R,4aR,4bS,8aS)-2-ethenyl-2,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9-octahydro-1H-phenanthrene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

62
Patents

272.2504 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 168.0
[M+Na]+ 295.23962 173.6
[M-H]- 271.24312 171.9
[M+NH4]+ 290.28422 192.4
[M+K]+ 311.21356 168.5
[M+H-H2O]+ 255.24766 161.4
[M+HCOO]- 317.24860 179.8
[M+CH3COO]- 331.26425 203.3
[M+Na-2H]- 293.22507 171.2
[M]+ 272.24985 161.8
[M]- 272.25095 161.8
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