CID 10675379

2-(3,4-dimethoxyphenyl)-5-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C29H34O15
SMILES
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)OC
InChI
InChI=1S/C29H34O15/c1-37-16-5-4-12(6-18(16)38-2)17-9-14(30)22-19(39-3)7-13(8-20(22)43-17)42-29-27(36)25(34)24(33)21(44-29)11-41-28-26(35)23(32)15(31)10-40-28/h4-9,15,21,23-29,31-36H,10-11H2,1-3H3/t15-,21-,23+,24-,25+,26-,27-,28+,29-/m1/s1
InChIKey
SIWCLUVDCVTJDC-YUYUGGDUSA-N
Compound name
2-(3,4-dimethoxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

622.18976 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 623.19704 244.7
[M+Na]+ 645.17898 248.4
[M-H]- 621.18248 240.4
[M+NH4]+ 640.22358 245.9
[M+K]+ 661.15292 242.8
[M+H-H2O]+ 605.18702 236.6
[M+HCOO]- 667.18796 247.7
[M+CH3COO]- 681.20361 262.3
[M+Na-2H]- 643.16443 266.8
[M]+ 622.18921 254.0
[M]- 622.19031 254.0
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.