CID 510093

[(1r,4ar,7r)-1,4a,7-trimethyl-7-vinyl-3,4,6,8,8a,9,10,10a-octahydro-2h-phenanthren-1-yl]methanol

Structural Information

Molecular Formula
C20H32O
SMILES
C[C@]1(CCC[C@@]2(C1CCC3C2=CC[C@@](C3)(C)C=C)C)CO
InChI
InChI=1S/C20H32O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,9,15,17,21H,1,6-8,10-14H2,2-4H3/t15?,17?,18-,19+,20+/m1/s1
InChIKey
YSFNIVKHYKBKHI-ABZWLXOVSA-N
Compound name
[(1R,4aR,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,6,8,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 172.7
[M+Na]+ 311.23455 177.9
[M-H]- 287.23805 175.1
[M+NH4]+ 306.27915 195.7
[M+K]+ 327.20849 172.5
[M+H-H2O]+ 271.24259 166.5
[M+HCOO]- 333.24353 183.1
[M+CH3COO]- 347.25918 202.9
[M+Na-2H]- 309.22000 175.6
[M]+ 288.24478 166.3
[M]- 288.24588 166.3
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.