CID 10742787

Dulciol b

Structural Information

Molecular Formula
C28H32O6
SMILES
CC(=CCC1=C2C(=C(C(=C1O)O)CC=C(C)C)OC3=C(C=C(C(=C3C2=O)O)C(C)(C)C=C)O)C
InChI
InChI=1S/C28H32O6/c1-8-28(6,7)18-13-19(29)27-21(24(18)32)25(33)20-16(11-9-14(2)3)22(30)23(31)17(26(20)34-27)12-10-15(4)5/h8-10,13,29-32H,1,11-12H2,2-7H3
InChIKey
CLXFLUDZZDAVOS-UHFFFAOYSA-N
Compound name
2,3,5,8-tetrahydroxy-7-(2-methylbut-3-en-2-yl)-1,4-bis(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

464.21988 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.22716 215.5
[M+Na]+ 487.20910 228.0
[M+NH4]+ 482.25370 218.6
[M+K]+ 503.18304 223.1
[M-H]- 463.21260 215.8
[M+Na-2H]- 485.19455 214.5
[M]+ 464.21933 217.3
[M]- 464.22043 217.3
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

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