CID 44257568

Glabratephrinol

Structural Information

Molecular Formula
C22H18O6
SMILES
CC1([C@@H]([C@@]2(COC3=C2C4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)C(=O)O1)O)C
InChI
InChI=1S/C22H18O6/c1-21(2)19(24)22(20(25)28-21)11-26-15-9-8-13-14(23)10-16(27-18(13)17(15)22)12-6-4-3-5-7-12/h3-10,19,24H,11H2,1-2H3/t19-,22-/m0/s1
InChIKey
GSGHBAQDHGCTPP-UGKGYDQZSA-N
Compound name
(4'R,9R)-4'-hydroxy-5',5'-dimethyl-2-phenylspiro[8H-furo[2,3-h]chromene-9,3'-oxolane]-2',4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.11035 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11763 183.8
[M+Na]+ 401.09957 195.9
[M-H]- 377.10307 196.8
[M+NH4]+ 396.14417 201.3
[M+K]+ 417.07351 194.3
[M+H-H2O]+ 361.10761 178.7
[M+HCOO]- 423.10855 200.3
[M+CH3COO]- 437.12420 196.6
[M+Na-2H]- 399.08502 187.6
[M]+ 378.10980 189.3
[M]- 378.11090 189.3
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.