CID 90471298

297179-23-8

Structural Information

Molecular Formula
C23H32O3
SMILES
CC(C)C1=C(C=CC2=C1C(=C[C@@H]3[C@@]2(CCCC3(C)C)C)OC)OC(=O)C
InChI
InChI=1S/C23H32O3/c1-14(2)20-17(26-15(3)24)10-9-16-21(20)18(25-7)13-19-22(4,5)11-8-12-23(16,19)6/h9-10,13-14,19H,8,11-12H2,1-7H3/t19-,23+/m0/s1
InChIKey
WUIWHPXAFZHOFF-WMZHIEFXSA-N
Compound name
[(4bS,8aS)-10-methoxy-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

0
References

0
Patents

356.23514 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.24242 186.3
[M+Na]+ 379.22436 193.4
[M-H]- 355.22786 191.1
[M+NH4]+ 374.26896 205.8
[M+K]+ 395.19830 190.3
[M+H-H2O]+ 339.23240 179.7
[M+HCOO]- 401.23334 199.8
[M+CH3COO]- 415.24899 220.9
[M+Na-2H]- 377.20981 187.1
[M]+ 356.23459 189.1
[M]- 356.23569 189.1
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.