CID 25200852

Dehydroabietadiene-diol

Structural Information

Molecular Formula
C20H30O2
SMILES
CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3CC2)(C)C(O)O)C
InChI
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17-18,21-22H,5,7,9-11H2,1-4H3/t17?,19-,20-/m1/s1
InChIKey
VAXDGLVOSGCOMC-IPNZSQQUSA-N
Compound name
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanediol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 175.3
[M+Na]+ 325.21380 185.9
[M+NH4]+ 320.25840 187.0
[M+K]+ 341.18774 175.4
[M-H]- 301.21730 177.7
[M+Na-2H]- 323.19925 180.2
[M]+ 302.22403 177.8
[M]- 302.22513 177.8
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.