CID 5311215

174627-50-0

Structural Information

Molecular Formula
C26H40O2
SMILES
CCCCCCC(C)(C)C1=CC2=C([C@@H]3CC(=CC[C@H]3C(O2)(C)C)C)C(=C1)OC
InChI
InChI=1S/C26H40O2/c1-8-9-10-11-14-25(3,4)19-16-22(27-7)24-20-15-18(2)12-13-21(20)26(5,6)28-23(24)17-19/h12,16-17,20-21H,8-11,13-15H2,1-7H3/t20-,21-/m1/s1
InChIKey
SUFMHSFGODDLKI-NHCUHLMSSA-N
Compound name
(6aR,10aR)-1-methoxy-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17
Patents

384.30283 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.31011 199.7
[M+Na]+ 407.29205 212.5
[M+NH4]+ 402.33665 209.6
[M+K]+ 423.26599 201.8
[M-H]- 383.29555 204.4
[M+Na-2H]- 405.27750 203.5
[M]+ 384.30228 203.4
[M]- 384.30338 203.4
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