CID 137321935

Methyl (3r,3'r)-3,5',8',10-tetrahydroxy-3'-[(2s,4r,5s,6s)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7'-methoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3h-benzo[f][1]benzofuran]-7-carboxylate

Structural Information

Molecular Formula
C33H30O17
SMILES
C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2C3=C(C(=O)C4=C(C3=O)C(=CC(=C4O)OC)O)OC25[C@@H](CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)OC)O
InChI
InChI=1S/C33H30O17/c1-10-23(36)15(44-3)9-18(46-10)48-30-22-25(38)20-13(34)8-14(43-2)24(37)21(20)27(40)29(22)50-33(30)17(35)7-12-5-11-6-16(31(41)45-4)47-32(42)19(11)26(39)28(12)49-33/h5-6,8,10,15,17-18,23,30,34-37,39H,7,9H2,1-4H3/t10-,15+,17+,18-,23-,30+,33?/m0/s1
InChIKey
JITQDIFDJYMZKN-YJACHSPLSA-N
Compound name
methyl (3R,3'R)-3,5',8',10-tetrahydroxy-3'-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7'-methoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

698.1483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 699.15558 250.0
[M+Na]+ 721.13752 250.9
[M+NH4]+ 716.18212 250.2
[M+K]+ 737.11146 258.3
[M-H]- 697.14102 244.8
[M+Na-2H]- 719.12297 267.2
[M]+ 698.14775 248.5
[M]- 698.14885 248.5
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.