CID 10672941

186824-60-2

Structural Information

Molecular Formula
C30H26O7
SMILES
CC(=C)C1CC2=C(C3=C1C(=O)C4=C(C3=O)C=CC(O4)(C)C)OC5=C(C2=O)C(=CC6=C5C=CC(O6)(C)C)O
InChI
InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3
InChIKey
BPBNMDXSLVPNFT-UHFFFAOYSA-N
Compound name
17-hydroxy-7,7,21,21-tetramethyl-12-prop-1-en-2-yl-8,20,26-trioxahexacyclo[12.12.0.02,11.04,9.016,25.019,24]hexacosa-1(14),2(11),4(9),5,16(25),17,19(24),22-octaene-3,10,15-trione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

498.16785 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.17513 218.5
[M+Na]+ 521.15707 229.7
[M-H]- 497.16057 227.1
[M+NH4]+ 516.20167 229.6
[M+K]+ 537.13101 228.4
[M+H-H2O]+ 481.16511 206.6
[M+HCOO]- 543.16605 223.2
[M+CH3COO]- 557.18170 226.6
[M+Na-2H]- 519.14252 221.2
[M]+ 498.16730 224.3
[M]- 498.16840 224.3
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.