CID 24847258

102433-79-4

Structural Information

Molecular Formula
C21H28O10
SMILES
CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)C)([C@]3([C@@H]([C@H]([C@@](C34CO4)(O2)O)O)OC(=O)C)C)COC(=O)C
InChI
InChI=1S/C21H28O10/c1-10-6-15-19(8-27-11(2)22,7-14(10)29-12(3)23)18(5)17(30-13(4)24)16(25)21(26,31-15)20(18)9-28-20/h6,14-17,25-26H,7-9H2,1-5H3/t14-,15+,16+,17+,18+,19+,20?,21-/m0/s1
InChIKey
CWJPAXCPOMRICA-HBCNLMGRSA-N
Compound name
[(1S,2R,4S,7R,9S,10R,11S)-4,11-diacetyloxy-9,10-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.16824 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.17552 196.8
[M+Na]+ 463.15746 204.3
[M+NH4]+ 458.20206 206.3
[M+K]+ 479.13140 199.8
[M-H]- 439.16096 204.1
[M+Na-2H]- 461.14291 200.3
[M]+ 440.16769 201.4
[M]- 440.16879 201.4
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.