CID 131750964

93376-71-7

Structural Information

Molecular Formula
C33H28O7
SMILES
CC1=CC2C3C(C1)(C4=C(C(=O)C3(OC5=C2C(=C6C(=C5)OC7=CC(=CC(=C76)O)C)C)O)OC8=CC(=CC(=C84)O)C)C
InChI
InChI=1S/C33H28O7/c1-13-7-18(34)26-20(9-13)38-22-11-23-24(16(4)25(22)26)17-6-15(3)12-32(5)28-27-19(35)8-14(2)10-21(27)39-29(28)31(36)33(37,40-23)30(17)32/h6-11,17,30,34-35,37H,12H2,1-5H3
InChIKey
QPGYUCLUVQROTF-UHFFFAOYSA-N
Compound name
6,16,24-trihydroxy-3,8,22,27,29-pentamethyl-11,15,19-trioxaoctacyclo[14.14.1.02,14.04,12.05,10.018,26.020,25.027,31]hentriaconta-2(14),3,5,7,9,12,18(26),20,22,24,29-undecaen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.18353 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.19081 226.4
[M+Na]+ 559.17275 239.3
[M-H]- 535.17625 235.7
[M+NH4]+ 554.21735 240.6
[M+K]+ 575.14669 236.1
[M+H-H2O]+ 519.18079 217.6
[M+HCOO]- 581.18173 230.8
[M+CH3COO]- 595.19738 234.5
[M+Na-2H]- 557.15820 226.8
[M]+ 536.18298 236.5
[M]- 536.18408 236.5
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.