CID 11730903

Tanariflavanone a

Structural Information

Molecular Formula
C30H36O7
SMILES
CC(=CCC/C(=C/CC1=C(C=CC(=C1O)O)[C@@H]2CC(=O)C3=C(O2)C=C4C(=C3O)CC(C(O4)(C)C)O)/C)C
InChI
InChI=1S/C30H36O7/c1-16(2)7-6-8-17(3)9-10-19-18(11-12-21(31)28(19)34)23-14-22(32)27-25(36-23)15-24-20(29(27)35)13-26(33)30(4,5)37-24/h7,9,11-12,15,23,26,31,33-35H,6,8,10,13-14H2,1-5H3/b17-9+/t23-,26?/m0/s1
InChIKey
BTDKFPKJPIGYFD-NBNDFHJKSA-N
Compound name
(8S)-8-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

508.2461 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.25338 227.5
[M+Na]+ 531.23532 232.4
[M-H]- 507.23882 231.1
[M+NH4]+ 526.27992 233.0
[M+K]+ 547.20926 229.4
[M+H-H2O]+ 491.24336 219.4
[M+HCOO]- 553.24430 231.2
[M+CH3COO]- 567.25995 244.0
[M+Na-2H]- 529.22077 222.7
[M]+ 508.24555 228.6
[M]- 508.24665 228.6
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.