CID 102194061

Chrodrimanin f

Structural Information

Molecular Formula
C25H34O6
SMILES
C[C@@H]1CC2=C(C(=CC3=C2C[C@H]4[C@]5(CC[C@@H](C([C@@H]5C[C@@H]([C@@]4(O3)C)O)(C)C)O)C)O)C(=O)O1
InChI
InChI=1S/C25H34O6/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/h10,12,17-20,26-28H,6-9,11H2,1-5H3/t12-,17+,18+,19+,20+,24+,25-/m1/s1
InChIKey
YMGGKEHLQJSJSU-CJVWRCMMSA-N
Compound name
(1S,6R,14R,15S,17R,19S,22S)-10,15,19-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-trien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.23553 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24281 203.4
[M+Na]+ 453.22475 213.8
[M+NH4]+ 448.26935 214.7
[M+K]+ 469.19869 202.9
[M-H]- 429.22825 207.6
[M+Na-2H]- 451.21020 203.6
[M]+ 430.23498 206.5
[M]- 430.23608 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.