CID 90471289

294191-41-6

Structural Information

Molecular Formula
C24H36O
SMILES
CC(C)C1=C(C(=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=C)C)OC
InChI
InChI=1S/C24H36O/c1-15(2)18-14-19-17(21(16(3)4)22(18)25-8)10-11-20-23(5,6)12-9-13-24(19,20)7/h14,16,20H,1,9-13H2,2-8H3/t20-,24+/m0/s1
InChIKey
ZFWWJSPNAOWOIE-GBXCKJPGSA-N
Compound name
(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-6-prop-1-en-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.2766 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.28388 187.2
[M+Na]+ 363.26582 199.2
[M+NH4]+ 358.31042 199.2
[M+K]+ 379.23976 187.2
[M-H]- 339.26932 190.8
[M+Na-2H]- 361.25127 192.2
[M]+ 340.27605 190.5
[M]- 340.27715 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.