CID 484442

[(4bs,8as)-1-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthren-2-yl] acetate

Structural Information

Molecular Formula
C22H30O2
SMILES
CC(C)C1=C(C=CC2=C1C=C[C@@H]3[C@@]2(CCCC3(C)C)C)OC(=O)C
InChI
InChI=1S/C22H30O2/c1-14(2)20-16-8-11-19-21(4,5)12-7-13-22(19,6)17(16)9-10-18(20)24-15(3)23/h8-11,14,19H,7,12-13H2,1-6H3/t19-,22+/m0/s1
InChIKey
FIBVRZUQHIKRQI-SIKLNZKXSA-N
Compound name
[(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.22458 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.23186 179.8
[M+Na]+ 349.21380 186.6
[M-H]- 325.21730 184.5
[M+NH4]+ 344.25840 200.4
[M+K]+ 365.18774 182.9
[M+H-H2O]+ 309.22184 173.1
[M+HCOO]- 371.22278 193.5
[M+CH3COO]- 385.23843 214.6
[M+Na-2H]- 347.19925 181.4
[M]+ 326.22403 180.3
[M]- 326.22513 180.3
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.