CID 91819753

Andilesin b

Structural Information

Molecular Formula
C25H30O5
SMILES
C[C@@]12C[C@H]3[C@]4(C=CC(=O)OC([C@@H]4CC[C@@]35[C@@]16COC(=O)C6=C[C@](C5)(C2=O)C)(C)C)C
InChI
InChI=1S/C25H30O5/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(26)30-20/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21+,22-,23-,24-,25+/m0/s1
InChIKey
KGCUDIJFRQOVLG-ZLRFBPIASA-N
Compound name
(1S,4R,10R,11S,13R,15S,21R)-5,5,10,13,15-pentamethyl-6,19-dioxahexacyclo[13.6.1.01,11.04,10.013,21.017,21]docosa-8,16-diene-7,14,18-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

410.20932 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21660 178.3
[M+Na]+ 433.19854 184.3
[M+NH4]+ 428.24314 193.3
[M+K]+ 449.17248 174.6
[M-H]- 409.20204 179.9
[M+Na-2H]- 431.18399 179.7
[M]+ 410.20877 180.5
[M]- 410.20987 180.5
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.