CID 11742974

2''',3'''-epoxylupinifolin

Structural Information

Molecular Formula
C25H26O6
SMILES
CC1(C=CC2=C(C3=C(C(=C2O1)CC4C(O4)(C)C)O[C@@H](CC3=O)C5=CC=C(C=C5)O)O)C
InChI
InChI=1S/C25H26O6/c1-24(2)10-9-15-21(28)20-17(27)12-18(13-5-7-14(26)8-6-13)29-23(20)16(22(15)31-24)11-19-25(3,4)30-19/h5-10,18-19,26,28H,11-12H2,1-4H3/t18-,19?/m0/s1
InChIKey
FFNJMGHENBNOAP-OYKVQYDMSA-N
Compound name
(8S)-10-[(3,3-dimethyloxiran-2-yl)methyl]-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.17294 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18022 198.9
[M+Na]+ 445.16216 210.1
[M-H]- 421.16566 210.8
[M+NH4]+ 440.20676 205.7
[M+K]+ 461.13610 210.4
[M+H-H2O]+ 405.17020 190.8
[M+HCOO]- 467.17114 208.7
[M+CH3COO]- 481.18679 208.6
[M+Na-2H]- 443.14761 202.7
[M]+ 422.17239 206.8
[M]- 422.17349 206.8
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.