CID 44307335

51768-60-6

Structural Information

Molecular Formula
C23H34O2
SMILES
CCCCCCCC1=CC(=C2[C@@H]3CC(=CC[C@H]3C(OC2=C1)(C)C)C)O
InChI
InChI=1S/C23H34O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11,14-15,18-19,24H,5-10,12-13H2,1-4H3/t18-,19-/m1/s1
InChIKey
RGXKCMQANRHRCO-RTBURBONSA-N
Compound name
(6aR,10aR)-3-heptyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

342.2559 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.26318 187.6
[M+Na]+ 365.24512 193.8
[M-H]- 341.24862 191.3
[M+NH4]+ 360.28972 204.0
[M+K]+ 381.21906 189.3
[M+H-H2O]+ 325.25316 180.2
[M+HCOO]- 387.25410 200.4
[M+CH3COO]- 401.26975 216.5
[M+Na-2H]- 363.23057 189.4
[M]+ 342.25535 189.3
[M]- 342.25645 189.3
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