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 172.0
[M+Na]+ 313.25018 181.2
[M+NH4]+ 308.29478 181.1
[M+K]+ 329.22412 174.3
[M-H]- 289.25368 174.0
[M+Na-2H]- 311.23563 176.3
[M]+ 290.26041 173.8
[M]- 290.26151 173.8
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.