CID 18666587

135861-56-2

Structural Information

Molecular Formula
C24H30O6
SMILES
CC1=C(C=C(C=C1)C2OC[C@H]3[C@@H](O2)[C@H](OC(O3)C4=CC(=C(C=C4)C)C)[C@@H](CO)O)C
InChI
InChI=1S/C24H30O6/c1-13-5-7-17(9-15(13)3)23-27-12-20-22(30-23)21(19(26)11-25)29-24(28-20)18-8-6-14(2)16(4)10-18/h5-10,19-26H,11-12H2,1-4H3/t19-,20+,21-,22-,23?,24?/m1/s1
InChIKey
YWEWWNPYDDHZDI-JJKKTNRVSA-N
Compound name
(1R)-1-[(4R,4aR,8aS)-2,6-bis(3,4-dimethylphenyl)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6116
Patents

414.20422 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21150 202.5
[M+Na]+ 437.19344 216.2
[M+NH4]+ 432.23804 208.7
[M+K]+ 453.16738 211.1
[M-H]- 413.19694 212.8
[M+Na-2H]- 435.17889 204.5
[M]+ 414.20367 207.5
[M]- 414.20477 207.5
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

patents stripe