CID 279054

Nsc129198

Structural Information

Molecular Formula
C22H38O3
SMILES
CC(C)C1CC2CCC3C(C2CC1CO)(CCCC3(C)C(=O)OC)C
InChI
InChI=1S/C22H38O3/c1-14(2)17-11-15-7-8-19-21(3,18(15)12-16(17)13-23)9-6-10-22(19,4)20(24)25-5/h14-19,23H,6-13H2,1-5H3
InChIKey
RIFVPADJXHOIQV-UHFFFAOYSA-N
Compound name
methyl 6-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.2821 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.28938 188.9
[M+Na]+ 373.27132 191.1
[M-H]- 349.27482 190.2
[M+NH4]+ 368.31592 207.3
[M+K]+ 389.24526 187.9
[M+H-H2O]+ 333.27936 183.1
[M+HCOO]- 395.28030 195.2
[M+CH3COO]- 409.29595 216.0
[M+Na-2H]- 371.25677 186.4
[M]+ 350.28155 183.3
[M]- 350.28265 183.3
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.