CID 90657589

Fusicocca-1,10(14)-diene-8beta,16-diol

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@@H]1[C@@H]\2CCC(/C2=C/[C@]3(CCC(=C3CC1O)C(C)C)C)CO
InChI
InChI=1S/C20H32O2/c1-12(2)15-7-8-20(4)10-17-14(11-21)5-6-16(17)13(3)19(22)9-18(15)20/h10,12-14,16,19,21-22H,5-9,11H2,1-4H3/b17-10-/t13-,14?,16+,19?,20-/m1/s1
InChIKey
YBMMUDUUHHUHPW-HTZGKGDFSA-N
Compound name
(1E,3R,10R,11S)-14-(hydroxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

304.24023 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 184.7
[M+Na]+ 327.22945 187.0
[M+NH4]+ 322.27405 187.4
[M+K]+ 343.20339 185.1
[M-H]- 303.23295 184.8
[M+Na-2H]- 325.21490 184.0
[M]+ 304.23968 185.0
[M]- 304.24078 185.0
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.