CID 271777

Methyl 12-methoxypodocarpa-8,11,13-trien-15-oate

Structural Information

Molecular Formula
C19H26O3
SMILES
CC12CCCC(C1CCC3=C2C=C(C=C3)OC)(C)C(=O)OC
InChI
InChI=1S/C19H26O3/c1-18-10-5-11-19(2,17(20)22-4)16(18)9-7-13-6-8-14(21-3)12-15(13)18/h6,8,12,16H,5,7,9-11H2,1-4H3
InChIKey
BSKWXDWRTACMCC-UHFFFAOYSA-N
Compound name
methyl 6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

302.1882 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 172.4
[M+Na]+ 325.17742 178.9
[M-H]- 301.18092 176.9
[M+NH4]+ 320.22202 193.6
[M+K]+ 341.15136 175.9
[M+H-H2O]+ 285.18546 165.6
[M+HCOO]- 347.18640 187.0
[M+CH3COO]- 361.20205 206.1
[M+Na-2H]- 323.16287 176.5
[M]+ 302.18765 172.2
[M]- 302.18875 172.2
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