CID 168265119

16-nor-3-beta-hydroxy-abieta-8,11,13-trien-7,15-dione

Structural Information

Molecular Formula
C19H24O3
SMILES
CC(=O)C1=CC2=C(C=C1)[C@]3(CC[C@H](C([C@@H]3CC2=O)(C)C)O)C
InChI
InChI=1S/C19H24O3/c1-11(20)12-5-6-14-13(9-12)15(21)10-16-18(2,3)17(22)7-8-19(14,16)4/h5-6,9,16-17,22H,7-8,10H2,1-4H3/t16-,17+,19+/m0/s1
InChIKey
DQKSWTBBIODFNB-YQVWRLOYSA-N
Compound name
(2R,4aS,10aR)-7-acetyl-2-hydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.17255 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.17983 169.0
[M+Na]+ 323.16177 177.1
[M-H]- 299.16527 172.8
[M+NH4]+ 318.20637 190.0
[M+K]+ 339.13571 172.9
[M+H-H2O]+ 283.16981 163.4
[M+HCOO]- 345.17075 182.1
[M+CH3COO]- 359.18640 206.2
[M+Na-2H]- 321.14722 171.7
[M]+ 300.17200 167.3
[M]- 300.17310 167.3
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.