CID 165362804

Dtxsid501021464

Structural Information

Molecular Formula
C43H62O10
SMILES
CC1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC(C)(C)C2OCC3(CO2)COC(OC3)C(C)(C)COC(=O)C=CC4=CC(=C(C(=C4)C)O)C(C)(C)C
InChI
InChI=1S/C43H62O10/c1-27-17-29(19-31(35(27)46)39(3,4)5)13-15-33(44)48-21-41(9,10)37-50-23-43(24-51-37)25-52-38(53-26-43)42(11,12)22-49-34(45)16-14-30-18-28(2)36(47)32(20-30)40(6,7)8/h13,15,17-20,37-38,46-47H,14,16,21-26H2,1-12H3
InChIKey
QOQIBUUHNPNECG-UHFFFAOYSA-N
Compound name
[2-[3-[1-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)prop-2-enoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

738.4343 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 739.44158 272.6
[M+Na]+ 761.42352 270.4
[M-H]- 737.42702 281.2
[M+NH4]+ 756.46812 265.2
[M+K]+ 777.39746 276.0
[M+H-H2O]+ 721.43156 264.1
[M+HCOO]- 783.43250 268.7
[M+CH3COO]- 797.44815 286.8
[M+Na-2H]- 759.40897 272.6
[M]+ 738.43375 279.3
[M]- 738.43485 279.3
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.