CID 165368626

Macrophomene

Structural Information

Molecular Formula
C30H48
SMILES
C/C/1=C\CC/C(=C/CC/C(=C/[C@@H]2[C@H](C2(C)C)CC/C(=C/CC/C(=C/CC1)/C)/C)/C)/C
InChI
InChI=1S/C30H48/c1-23-12-8-14-24(2)16-10-18-26(4)20-21-28-29(30(28,6)7)22-27(5)19-11-17-25(3)15-9-13-23/h13-14,17-18,22,28-29H,8-12,15-16,19-21H2,1-7H3/b23-13+,24-14+,25-17+,26-18+,27-22+/t28-,29-/m1/s1
InChIKey
RHBWEVCRGQZVST-SGDJXXCCSA-N
Compound name
(1R,2E,6E,10E,14E,18E,22R)-3,7,11,15,19,23,23-heptamethylbicyclo[20.1.0]tricosa-2,6,10,14,18-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.3756 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.38288 194.1
[M+Na]+ 431.36482 208.6
[M+NH4]+ 426.40942 204.1
[M+K]+ 447.33876 198.5
[M-H]- 407.36832 207.8
[M+Na-2H]- 429.35027 204.8
[M]+ 408.37505 201.3
[M]- 408.37615 201.3
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.