CID 176454342

16-dehydroxyvinigrol

Structural Information

Molecular Formula
C20H34O2
SMILES
C[C@@H]1CC[C@@H]([C@@H]2C=C([C@H]([C@@H]3[C@H]1CC[C@H]([C@]23O)C)O)C)C(C)C
InChI
InChI=1S/C20H34O2/c1-11(2)15-8-6-12(3)16-9-7-14(5)20(22)17(15)10-13(4)19(21)18(16)20/h10-12,14-19,21-22H,6-9H2,1-5H3/t12-,14-,15-,16+,17+,18+,19-,20+/m1/s1
InChIKey
LQFWRRDOFNZXCY-AHDVCNRSSA-N
Compound name
(1S,2R,5S,6R,9R,10R,13S,14S)-2,6,12-trimethyl-9-propan-2-yltricyclo[8.4.0.05,14]tetradec-11-ene-1,13-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2559 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 185.0
[M+Na]+ 329.24512 188.7
[M-H]- 305.24862 185.3
[M+NH4]+ 324.28972 193.2
[M+K]+ 345.21906 187.4
[M+H-H2O]+ 289.25316 181.1
[M+HCOO]- 351.25410 188.0
[M+CH3COO]- 365.26975 233.9
[M+Na-2H]- 327.23057 180.2
[M]+ 306.25535 182.4
[M]- 306.25645 182.4
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.