CID 90658198

Fusicocca-2,10(14)-diene-8beta,16-diol

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@@H]1[C@@H]2CCC(=C2C[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/h12-13,16,19,21-22H,5-11H2,1-4H3/t13-,16+,19?,20-/m1/s1
InChIKey
UREKQFMFIHKFME-HFEWRTIOSA-N
Compound name
(3R,10R,11S)-14-(hydroxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1(14),6-dien-9-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

304.24023 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 189.7
[M+Na]+ 327.22945 194.1
[M-H]- 303.23295 190.9
[M+NH4]+ 322.27405 199.3
[M+K]+ 343.20339 192.3
[M+H-H2O]+ 287.23749 186.4
[M+HCOO]- 349.23843 194.9
[M+CH3COO]- 363.25408 231.9
[M+Na-2H]- 325.21490 183.7
[M]+ 304.23968 188.1
[M]- 304.24078 188.1
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.