CID 572933

7alpha-hydroxytrichodermol

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1=CC2C(C(C1)O)(C3(C(CC(C34CO4)O2)O)C)C
InChI
InChI=1S/C15H22O4/c1-8-4-9(16)13(2)11(5-8)19-12-6-10(17)14(13,3)15(12)7-18-15/h5,9-12,16-17H,4,6-7H2,1-3H3
InChIKey
HSKDIWXLQLBLPQ-UHFFFAOYSA-N
Compound name
1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-3,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1518 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 157.7
[M+Na]+ 289.14102 168.3
[M-H]- 265.14452 164.0
[M+NH4]+ 284.18562 176.2
[M+K]+ 305.11496 167.7
[M+H-H2O]+ 249.14906 154.8
[M+HCOO]- 311.15000 167.4
[M+CH3COO]- 325.16565 169.5
[M+Na-2H]- 287.12647 164.5
[M]+ 266.15125 161.6
[M]- 266.15235 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.