CID 101565497

Chrodrimanin a

Structural Information

Molecular Formula
C25H30O7
SMILES
C[C@@H]1[C@@H](C2=C(C(=CC3=C2C[C@H]4[C@]5(C=CC(=O)C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)C)O)C(=O)O1)O
InChI
InChI=1S/C25H30O7/c1-11-21(29)19-12-8-16-24(4)7-6-17(27)23(2,3)15(24)10-18(28)25(16,5)32-14(12)9-13(26)20(19)22(30)31-11/h6-7,9,11,15-16,18,21,26,28-29H,8,10H2,1-5H3/t11-,15+,16+,18+,21+,24+,25-/m1/s1
InChIKey
KCLJXKIILUZVBN-WREWNJFMSA-N
Compound name
(1S,5R,6R,14R,15S,17R,22S)-5,10,15-trihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

442.19916 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.20644 203.4
[M+Na]+ 465.18838 214.6
[M+NH4]+ 460.23298 213.9
[M+K]+ 481.16232 204.2
[M-H]- 441.19188 207.2
[M+Na-2H]- 463.17383 204.0
[M]+ 442.19861 206.5
[M]- 442.19971 206.5
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.