CID 171120133

Elephantopinolide p

Structural Information

Molecular Formula
C20H24O7
SMILES
C/C=C(/C)\C(=O)OC[C@@H]1[C@@H]2[C@H](CC3=C[C@H](C/C(=C/[C@H]2O)/C)OC3=O)OC1=O
InChI
InChI=1S/C20H24O7/c1-4-11(3)18(22)25-9-14-17-15(21)6-10(2)5-13-7-12(19(23)26-13)8-16(17)27-20(14)24/h4,6-7,13-17,21H,5,8-9H2,1-3H3/b10-6+,11-4-/t13-,14+,15+,16-,17-/m0/s1
InChIKey
MUAPRESCLYWXJZ-XWWCWJFGSA-N
Compound name
[(3S,6S,7S,8R,9E,12S)-8-hydroxy-10-methyl-5,14-dioxo-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),9-dien-6-yl]methyl (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1522 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15948 183.5
[M+Na]+ 399.14142 189.9
[M-H]- 375.14492 185.1
[M+NH4]+ 394.18602 196.2
[M+K]+ 415.11536 189.8
[M+H-H2O]+ 359.14946 184.2
[M+HCOO]- 421.15040 195.5
[M+CH3COO]- 435.16605 214.0
[M+Na-2H]- 397.12687 180.1
[M]+ 376.15165 185.7
[M]- 376.15275 185.7
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.