CID 91820080

Andilesin c

Structural Information

Molecular Formula
C25H32O5
SMILES
C[C@]12C[C@@H]3C(=O)OC[C@]34[C@](C1=O)(C[C@@H]5[C@@]4(C2)CC[C@@H]6[C@@]5(C=CC(=O)OC6(C)C)C)C
InChI
InChI=1S/C25H32O5/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/h7-8,14-16H,6,9-13H2,1-5H3/t14-,15+,16+,21-,22+,23+,24+,25-/m1/s1
InChIKey
UOLOMGXHYRADOZ-HMAPIXHDSA-N
Compound name
(1S,4R,10R,11S,13R,15R,17S,21R)-5,5,10,13,15-pentamethyl-6,19-dioxahexacyclo[13.6.1.01,11.04,10.013,21.017,21]docos-8-ene-7,14,18-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

412.22498 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23226 185.9
[M+Na]+ 435.21420 194.8
[M-H]- 411.21770 191.9
[M+NH4]+ 430.25880 212.4
[M+K]+ 451.18814 186.6
[M+H-H2O]+ 395.22224 177.4
[M+HCOO]- 457.22318 187.4
[M+CH3COO]- 471.23883 194.2
[M+Na-2H]- 433.19965 190.3
[M]+ 412.22443 186.6
[M]- 412.22553 186.6
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.