CID 22217283

Methyl 13beta-ethyl-13-methyl-15-podocarpanoate

Structural Information

Molecular Formula
C21H36O2
SMILES
CC[C@@]1(CC[C@H]2[C@H](C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C
InChI
InChI=1S/C21H36O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h15-17H,6-14H2,1-5H3/t15-,16-,17+,19+,20+,21+/m0/s1
InChIKey
MFVKHHMUIWTAHZ-CKUDZXNLSA-N
Compound name
methyl (1R,4aR,4bS,7R,8aS,10aR)-7-ethyl-1,4a,7-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.27155 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.278826 181.0
[M+Na]+ 343.260768 184.7
[M-H]- 319.264274 184.1
[M+NH4]+ 338.305373 203.2
[M+K]+ 359.234708 181.4
[M+H-H2O]+ 303.268810 174.6
[M+HCOO]- 365.269751 190.1
[M+CH3COO]- 379.285401 211.0
[M+Na-2H]- 341.246216 181.9
[M]+ 320.27100142 176.0
[M]- 320.27209858 176.0
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

No patent data available for this compound.