CID 78577443

84929-27-1

Structural Information

Molecular Formula
C32H30O11
SMILES
CC1=CC(=C(C2=C1C[C@@]([C@H](O2)C3=CC(=C(C=C3)O)O)(C)O)[C@H]4[C@@H]([C@H](OC5=CC(=CC(=C45)O)O)C6=CC(=C(C=C6)O)O)O)O
InChI
InChI=1S/C32H30O11/c1-13-7-22(38)26(30-17(13)12-32(2,41)31(43-30)15-4-6-19(35)21(37)9-15)27-25-23(39)10-16(33)11-24(25)42-29(28(27)40)14-3-5-18(34)20(36)8-14/h3-11,27-29,31,33-41H,12H2,1-2H3/t27-,28-,29+,31+,32+/m0/s1
InChIKey
VWKAFYWVDIOMSL-PMFFMQSYSA-N
Compound name
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,5-dimethyl-2,4-dihydrochromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

590.17883 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.18611 231.4
[M+Na]+ 613.16805 239.8
[M-H]- 589.17155 229.1
[M+NH4]+ 608.21265 234.8
[M+K]+ 629.14199 231.9
[M+H-H2O]+ 573.17609 221.2
[M+HCOO]- 635.17703 236.8
[M+CH3COO]- 649.19268 240.9
[M+Na-2H]- 611.15350 254.9
[M]+ 590.17828 250.0
[M]- 590.17938 250.0
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.