CID 154700460

Chrodrimanin t

Structural Information

Molecular Formula
C25H30O6
SMILES
C[C@@H]1[C@@H](C2=C(C(=CC3=C2C[C@@H]4[C@@](O3)(CC[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C)O)C(=O)O1)O
InChI
InChI=1S/C25H30O6/c1-12-21(28)19-13-10-17-24(4)8-7-18(27)23(2,3)16(24)6-9-25(17,5)31-15(13)11-14(26)20(19)22(29)30-12/h7-8,11-12,16-17,21,26,28H,6,9-10H2,1-5H3/t12-,16+,17+,21+,24+,25+/m1/s1
InChIKey
ZQEZDIWZMVYYDQ-FCGGSIJASA-N
Compound name
(1S,5R,6R,14S,17R,22S)-5,10-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10,20-tetraene-8,19-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.20422 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.21150 198.9
[M+Na]+ 449.19344 208.0
[M-H]- 425.19694 203.9
[M+NH4]+ 444.23804 215.2
[M+K]+ 465.16738 205.7
[M+H-H2O]+ 409.20148 190.2
[M+HCOO]- 471.20242 202.1
[M+CH3COO]- 485.21807 207.1
[M+Na-2H]- 447.17889 202.4
[M]+ 426.20367 199.0
[M]- 426.20477 199.0
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.