CID 97182273

(9r,10s)-10-hydroxy-8,8-dimethyl-9-(((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl)oxy)-9,10-dihydro-2h,8h-pyrano[2,3-f]chromen-2-one

Structural Information

Molecular Formula
C20H24O10
SMILES
CC1([C@@H]([C@H](C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
InChI
InChI=1S/C20H24O10/c1-20(2)18(29-19-16(26)15(25)13(23)10(7-21)27-19)14(24)12-9(30-20)5-3-8-4-6-11(22)28-17(8)12/h3-6,10,13-16,18-19,21,23-26H,7H2,1-2H3/t10-,13-,14+,15+,16-,18-,19+/m1/s1
InChIKey
QAUDHOGPLBDVAX-GIDDHENUSA-N
Compound name
(9R,10S)-10-hydroxy-8,8-dimethyl-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dihydropyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.13693 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14421 197.0
[M+Na]+ 447.12615 204.2
[M-H]- 423.12965 201.4
[M+NH4]+ 442.17075 203.9
[M+K]+ 463.10009 205.5
[M+H-H2O]+ 407.13419 189.3
[M+HCOO]- 469.13513 202.3
[M+CH3COO]- 483.15078 222.4
[M+Na-2H]- 445.11160 199.5
[M]+ 424.13638 200.0
[M]- 424.13748 200.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.