CID 42608199

Dendrobane a

Structural Information

Molecular Formula
C15H24O3
SMILES
CC(CO)[C@@H]1C[C@H]([C@]2([C@@H]3C1C4[C@@]2(C4[C@@H]3O)C)C)O
InChI
InChI=1S/C15H24O3/c1-6(5-16)7-4-8(17)14(2)11-9(7)10-12(13(11)18)15(10,14)3/h6-13,16-18H,4-5H2,1-3H3/t6?,7-,8+,9?,10?,11+,12?,13+,14-,15+/m0/s1
InChIKey
JSKHHRWONMXCPX-ZYVQPCPRSA-N
Compound name
(3R,5S,6S,7S,8R,10R)-10-(1-hydroxypropan-2-yl)-3,7-dimethyltetracyclo[4.4.0.02,4.03,7]decane-5,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 151.8
[M+Na]+ 275.16177 160.9
[M-H]- 251.16527 152.6
[M+NH4]+ 270.20637 175.8
[M+K]+ 291.13571 154.6
[M+H-H2O]+ 235.16981 151.6
[M+HCOO]- 297.17075 160.4
[M+CH3COO]- 311.18640 162.8
[M+Na-2H]- 273.14722 153.8
[M]+ 252.17200 158.6
[M]- 252.17310 158.6
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.