CID 42608132

Louisfieserone a

Structural Information

Molecular Formula
C22H24O5
SMILES
C[C@]12C3=C(C(=O)C[C@H](O3)C4=CC=CC=C4)[C@@]5(C(C1(C)C)CO[C@]5(C2=O)C)O
InChI
InChI=1S/C22H24O5/c1-19(2)15-11-26-21(4)18(24)20(19,3)17-16(22(15,21)25)13(23)10-14(27-17)12-8-6-5-7-9-12/h5-9,14-15,25H,10-11H2,1-4H3/t14-,15?,20+,21-,22+/m0/s1
InChIKey
NZANVYUIDHOMEY-HZOCRMPBSA-N
Compound name
(2R,6S,9R,11R)-2-hydroxy-9,11,14,14-tetramethyl-6-phenyl-7,12-dioxatetracyclo[7.4.1.02,11.03,8]tetradec-3(8)-ene-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.16238 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16966 176.1
[M+Na]+ 391.15160 184.9
[M-H]- 367.15510 181.6
[M+NH4]+ 386.19620 199.5
[M+K]+ 407.12554 182.2
[M+H-H2O]+ 351.15964 167.3
[M+HCOO]- 413.16058 182.2
[M+CH3COO]- 427.17623 186.2
[M+Na-2H]- 389.13705 183.9
[M]+ 368.16183 181.1
[M]- 368.16293 181.1
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.