CID 145712505

9,13(r)-epoxylabd-14-ene

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@@H]1CC[C@@H]2[C@@]([C@@]13CC[C@](O3)(C)C=C)(CCCC2(C)C)C
InChI
InChI=1S/C20H34O/c1-7-18(5)13-14-20(21-18)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19+,20-/m1/s1
InChIKey
YFIVBYGSVFHTOP-XIHRTOKZSA-N
Compound name
(4aS,5'R,7R,8R,8aS)-5'-ethenyl-4,4,5',7,8a-pentamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-oxolane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.26096 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 169.0
[M+Na]+ 313.25018 175.5
[M-H]- 289.25368 175.2
[M+NH4]+ 308.29478 194.5
[M+K]+ 329.22412 172.0
[M+H-H2O]+ 273.25822 164.1
[M+HCOO]- 335.25916 181.1
[M+CH3COO]- 349.27481 204.1
[M+Na-2H]- 311.23563 171.3
[M]+ 290.26041 164.4
[M]- 290.26151 164.4
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.