CID 14605182

24,25-epoxywithanolide d

Structural Information

Molecular Formula
C28H38O7
SMILES
CC12CCC3C(C1CCC2C(C)(C4CC5(C(O5)(C(=O)O4)C)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6
InChI
InChI=1S/C28H38O7/c1-23-11-10-16-14(12-20-28(34-20)19(30)9-8-18(29)25(16,28)3)15(23)6-7-17(23)26(4,32)21-13-24(2)27(5,35-24)22(31)33-21/h8-9,14-17,19-21,30,32H,6-7,10-13H2,1-5H3
InChIKey
XSDOAUFXJBFVLE-UHFFFAOYSA-N
Compound name
15-[1-(1,6-dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl)-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.26175 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.26903 184.6
[M+Na]+ 509.25097 195.8
[M+NH4]+ 504.29557 197.9
[M+K]+ 525.22491 189.9
[M-H]- 485.25447 202.9
[M+Na-2H]- 507.23642 193.1
[M]+ 486.26120 194.4
[M]- 486.26230 194.4
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.