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]+ 291.26824 172.4
[M+Na]+ 313.25018 177.2
[M-H]- 289.25368 172.6
[M+NH4]+ 308.29478 190.1
[M+K]+ 329.22412 174.1
[M+H-H2O]+ 273.25822 171.2
[M+HCOO]- 335.25916 185.9
[M+CH3COO]- 349.27481 198.5
[M+Na-2H]- 311.23563 171.8
[M]+ 290.26041 166.3
[M]- 290.26151 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.