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 184.7
[M+Na]+ 363.26582 190.5
[M-H]- 339.26932 188.8
[M+NH4]+ 358.31042 204.8
[M+K]+ 379.23976 185.9
[M+H-H2O]+ 323.27386 178.2
[M+HCOO]- 385.27480 196.0
[M+CH3COO]- 399.29045 220.8
[M+Na-2H]- 361.25127 183.5
[M]+ 340.27605 183.3
[M]- 340.27715 183.3
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.