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 180.0
[M+Na]+ 435.21420 185.2
[M+NH4]+ 430.25880 195.0
[M+K]+ 451.18814 175.7
[M-H]- 411.21770 181.4
[M+Na-2H]- 433.19965 180.6
[M]+ 412.22443 181.9
[M]- 412.22553 181.9
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.