CID 20837867

Miltiradiene

Structural Information

Molecular Formula
C20H32
SMILES
CC(C)C1=CCC2=C(C1)CC[C@@H]3[C@@]2(CCCC3(C)C)C
InChI
InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1
InChIKey
BGVUIJDZTQIJIO-AZUAARDMSA-N
Compound name
(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

87
Patents

272.2504 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 170.8
[M+Na]+ 295.23962 182.9
[M+NH4]+ 290.28422 184.5
[M+K]+ 311.21356 170.2
[M-H]- 271.24312 175.4
[M+Na-2H]- 293.22507 177.1
[M]+ 272.24985 174.4
[M]- 272.25095 174.4
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

patents stripe