CID 10326774

5,7-dimethoxy-2-[2-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one

Structural Information

Molecular Formula
C30H38O15
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C(C=C3)C4CC(=O)C5=C(O4)C=C(C=C5OC)OC)OC)O)O)O)O)O)O
InChI
InChI=1S/C30H38O15/c1-12-23(32)25(34)27(36)29(42-12)41-11-21-24(33)26(35)28(37)30(45-21)43-13-5-6-15(17(7-13)39-3)18-10-16(31)22-19(40-4)8-14(38-2)9-20(22)44-18/h5-9,12,18,21,23-30,32-37H,10-11H2,1-4H3/t12-,18?,21+,23-,24+,25+,26-,27+,28+,29+,30+/m0/s1
InChIKey
CPNDUJFPOGZJOE-PYSLUGSRSA-N
Compound name
5,7-dimethoxy-2-[2-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.22107 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.22835 247.7
[M+Na]+ 661.21029 250.6
[M-H]- 637.21379 242.6
[M+NH4]+ 656.25489 248.4
[M+K]+ 677.18423 245.4
[M+H-H2O]+ 621.21833 240.1
[M+HCOO]- 683.21927 250.2
[M+CH3COO]- 697.23492 267.7
[M+Na-2H]- 659.19574 270.8
[M]+ 638.22052 254.7
[M]- 638.22162 254.7
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.