CID 15235994

13-(hydroxymethyl)-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-17,18-diol

Structural Information

Molecular Formula
C25H38O6
SMILES
CC(C)C1=C2C3CC=C(C4C(C3(CCC2(CC1)C)C)OC5C(O4)C(C(CO5)O)O)CO
InChI
InChI=1S/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3
InChIKey
DMPGFSQMXITJPT-UHFFFAOYSA-N
Compound name
13-(hydroxymethyl)-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-17,18-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.26685 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.27413 206.6
[M+Na]+ 457.25607 212.3
[M+NH4]+ 452.30067 215.1
[M+K]+ 473.23001 207.9
[M-H]- 433.25957 210.3
[M+Na-2H]- 455.24152 203.0
[M]+ 434.26630 208.6
[M]- 434.26740 208.6
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.