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]+ 267.159076 157.7
[M+Na]+ 289.141018 168.3
[M-H]- 265.144524 164.0
[M+NH4]+ 284.185623 176.2
[M+K]+ 305.114958 167.7
[M+H-H2O]+ 249.149060 154.8
[M+HCOO]- 311.150001 167.4
[M+CH3COO]- 325.165651 169.5
[M+Na-2H]- 287.126466 164.5
[M]+ 266.15125142 161.6
[M]- 266.15234858 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.