CID 42608053

Sanggenon g

Structural Information

Molecular Formula
C40H38O11
SMILES
CC(=CCCC1=CC([C@@H]([C@H](C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C5=C(C=C4O)OC(CC5=O)C6=C(C=C(C=C6)O)O)O)C
InChI
InChI=1S/C40H38O11/c1-19(2)4-3-5-20-12-27(24-9-6-21(41)14-29(24)44)36(39(49)26-11-8-23(43)16-31(26)46)28(13-20)37-32(47)18-35-38(40(37)50)33(48)17-34(51-35)25-10-7-22(42)15-30(25)45/h4,6-11,13-16,18,27-28,34,36,41-47,50H,3,5,12,17H2,1-2H3/t27-,28?,34?,36-/m1/s1
InChIKey
VYCKCQBOVSSJSK-CFQOWUBYSA-N
Compound name
6-[(5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-(4-methylpent-3-enyl)cyclohex-2-en-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

694.2414 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.24868 251.0
[M+Na]+ 717.23062 259.9
[M-H]- 693.23412 251.6
[M+NH4]+ 712.27522 255.0
[M+K]+ 733.20456 249.1
[M+H-H2O]+ 677.23866 236.1
[M+HCOO]- 739.23960 256.6
[M+CH3COO]- 753.25525 260.1
[M+Na-2H]- 715.21607 275.5
[M]+ 694.24085 275.5
[M]- 694.24195 275.5
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.