CID 53375327

9beta-pimara-7,15-diene-3beta-ol

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@]1(CC[C@@H]2C(=CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)C1)C=C
InChI
InChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6-7,15-17,21H,1,8-13H2,2-5H3/t15-,16+,17+,19-,20-/m1/s1
InChIKey
BLRQCWSOICYRPH-HDHSKVTNSA-N
Compound name
(2S,4aR,4bR,7R,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 171.2
[M+Na]+ 311.234548 177.3
[M-H]- 287.238054 174.0
[M+NH4]+ 306.279153 194.6
[M+K]+ 327.208488 172.0
[M+H-H2O]+ 271.242590 165.4
[M+HCOO]- 333.243531 181.6
[M+CH3COO]- 347.259181 204.1
[M+Na-2H]- 309.219996 173.7
[M]+ 288.24478142 165.2
[M]- 288.24587858 165.2
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

No patent data available for this compound.