CID 57404370

(3e,7e)-dolabella-3,7-dien-18-ol

Structural Information

Molecular Formula
C20H34O
SMILES
C/C/1=C\CC/C(=C/C[C@]2(CC[C@H]([C@@H]2CC1)C(C)(C)O)C)/C
InChI
InChI=1S/C20H34O/c1-15-7-6-8-16(2)11-13-20(5)14-12-17(19(3,4)21)18(20)10-9-15/h7,11,17-18,21H,6,8-10,12-14H2,1-5H3/b15-7+,16-11+/t17-,18+,20+/m1/s1
InChIKey
OEBBSSBZPLXOHC-HJHANVIFSA-N
Compound name
2-[(1R,3aR,5E,9E,12aS)-3a,6,10-trimethyl-2,3,4,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.26096 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 172.4
[M+Na]+ 313.250178 177.2
[M-H]- 289.253684 172.6
[M+NH4]+ 308.294783 190.1
[M+K]+ 329.224118 174.1
[M+H-H2O]+ 273.258220 171.2
[M+HCOO]- 335.259161 185.9
[M+CH3COO]- 349.274811 198.5
[M+Na-2H]- 311.235626 171.8
[M]+ 290.26041142 166.3
[M]- 290.26150858 166.3
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.