CID 101565498

Chrodrimanin c

Structural Information

Molecular Formula
C25H32O5
SMILES
C[C@@H]1CC2=C(C(=CC3=C2C[C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4(O3)C)(C)C)C)O)C(=O)O1
InChI
InChI=1S/C25H32O5/c1-13-10-15-14-11-19-24(4)8-7-20(27)23(2,3)18(24)6-9-25(19,5)30-17(14)12-16(26)21(15)22(28)29-13/h12-13,18-19,26H,6-11H2,1-5H3/t13-,18+,19+,24+,25+/m1/s1
InChIKey
CFWQLQINZAVWGP-IZCXAEKASA-N
Compound name
(1S,6R,14S,17R,22S)-10-hydroxy-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

1
References

0
Patents

412.22498 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23226 200.0
[M+Na]+ 435.21420 211.7
[M+NH4]+ 430.25880 212.4
[M+K]+ 451.18814 199.5
[M-H]- 411.21770 205.4
[M+Na-2H]- 433.19965 201.8
[M]+ 412.22443 203.8
[M]- 412.22553 203.8
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.