CID 73800197

Dimethyl ent-16alpha-kaurane-17,19-dioate

Structural Information

Molecular Formula
C22H34O4
SMILES
CC12CCCC(C1CCC34C2CCC(C3)C(C4)C(=O)OC)(C)C(=O)OC
InChI
InChI=1S/C22H34O4/c1-20-9-5-10-21(2,19(24)26-4)16(20)8-11-22-12-14(6-7-17(20)22)15(13-22)18(23)25-3/h14-17H,5-13H2,1-4H3
InChIKey
USASLHCCADYMNF-UHFFFAOYSA-N
Compound name
dimethyl 5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2457 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.252976 190.8
[M+Na]+ 385.234918 194.0
[M-H]- 361.238424 193.4
[M+NH4]+ 380.279523 213.6
[M+K]+ 401.208858 190.4
[M+H-H2O]+ 345.242960 184.7
[M+HCOO]- 407.243901 197.7
[M+CH3COO]- 421.259551 216.7
[M+Na-2H]- 383.220366 190.0
[M]+ 362.24515142 187.4
[M]- 362.24624858 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.