CID 102194063

Chrodrimanin h

Structural Information

Molecular Formula
C25H32O6
SMILES
C[C@@H]1CC2=C(C(=CC3=C2C[C@H]4[C@]5(CCC(=O)C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)C)O)C(=O)O1
InChI
InChI=1S/C25H32O6/c1-12-8-14-13-9-18-24(4)7-6-19(27)23(2,3)17(24)11-20(28)25(18,5)31-16(13)10-15(26)21(14)22(29)30-12/h10,12,17-18,20,26,28H,6-9,11H2,1-5H3/t12-,17+,18+,20+,24+,25-/m1/s1
InChIKey
FWXJBWSYMUZVRM-GIOGGLKRSA-N
Compound name
(1S,6R,14R,15S,17R,22S)-10,15-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

428.21988 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22716 202.2
[M+Na]+ 451.20910 213.2
[M+NH4]+ 446.25370 213.6
[M+K]+ 467.18304 202.0
[M-H]- 427.21260 206.7
[M+Na-2H]- 449.19455 203.0
[M]+ 428.21933 205.5
[M]- 428.22043 205.5
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.