CID 11120139

15340-83-7

Structural Information

Molecular Formula
C21H32O
SMILES
CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)OC
InChI
InChI=1S/C21H32O/c1-14(2)19-15-8-11-18-20(3,4)12-7-13-21(18,5)16(15)9-10-17(19)22-6/h9-10,14,18H,7-8,11-13H2,1-6H3/t18-,21+/m0/s1
InChIKey
DORDKDUSCNWFPJ-GHTZIAJQSA-N
Compound name
(4aS,10aS)-7-methoxy-1,1,4a-trimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.24533 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.25261 175.9
[M+Na]+ 323.23455 188.5
[M+NH4]+ 318.27915 188.8
[M+K]+ 339.20849 176.2
[M-H]- 299.23805 180.1
[M+Na-2H]- 321.22000 182.3
[M]+ 300.24478 179.4
[M]- 300.24588 179.4
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.