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

1
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

patents stripe