CID 461841

Nsc 146203

Structural Information

Molecular Formula
C23H32O3
SMILES
CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)OC)C)C(=O)C
InChI
InChI=1S/C23H32O3/c1-14(2)17-12-16-8-9-20-22(4,19(16)13-18(17)15(3)24)10-7-11-23(20,5)21(25)26-6/h12-14,20H,7-11H2,1-6H3
InChIKey
HFNSWUWOTLFFOE-UHFFFAOYSA-N
Compound name
methyl 6-acetyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

356.23514 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.24242 186.4
[M+Na]+ 379.22436 191.6
[M-H]- 355.22786 190.3
[M+NH4]+ 374.26896 205.3
[M+K]+ 395.19830 188.5
[M+H-H2O]+ 339.23240 180.1
[M+HCOO]- 401.23334 197.6
[M+CH3COO]- 415.24899 220.3
[M+Na-2H]- 377.20981 185.7
[M]+ 356.23459 186.0
[M]- 356.23569 186.0
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

patents stripe