CID 5480298

Petalostemumol g

Structural Information

Molecular Formula
C30H34O7
SMILES
CC(=CCC1=CC(=C(C(=C1C2=C(C(=O)C3=C(C=C(C(=C3O2)CC=C(C)C)O)O)O)CC=C(C)C)O)O)C
InChI
InChI=1S/C30H34O7/c1-15(2)7-10-18-13-23(33)26(34)20(12-9-17(5)6)24(18)30-28(36)27(35)25-22(32)14-21(31)19(29(25)37-30)11-8-16(3)4/h7-9,13-14,31-34,36H,10-12H2,1-6H3
InChIKey
JJYTVPNJUZEOPO-UHFFFAOYSA-N
Compound name
2-[3,4-dihydroxy-2,6-bis(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

506.23044 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.23772 226.1
[M+Na]+ 529.21966 232.6
[M-H]- 505.22316 228.4
[M+NH4]+ 524.26426 229.9
[M+K]+ 545.19360 227.8
[M+H-H2O]+ 489.22770 218.0
[M+HCOO]- 551.22864 234.6
[M+CH3COO]- 565.24429 243.4
[M+Na-2H]- 527.20511 217.5
[M]+ 506.22989 230.2
[M]- 506.23099 230.2
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.