CID 3063849

Canbisol, (+/-)-(rrr)-

Structural Information

Molecular Formula
C24H38O3
SMILES
CCCCCCC(C)(C)C1=CC(=C2[C@@H]3C[C@@H](CC[C@H]3C(OC2=C1)(C)C)O)O
InChI
InChI=1S/C24H38O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,17-19,25-26H,6-12,15H2,1-5H3/t17-,18-,19-/m1/s1
InChIKey
UEKGZFCGRQYMRM-GUDVDZBRSA-N
Compound name
(6aR,9R,10aR)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

374.2821 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.28938 196.7
[M+Na]+ 397.27132 201.2
[M-H]- 373.27482 198.5
[M+NH4]+ 392.31592 211.0
[M+K]+ 413.24526 197.3
[M+H-H2O]+ 357.27936 190.3
[M+HCOO]- 419.28030 204.7
[M+CH3COO]- 433.29595 220.2
[M+Na-2H]- 395.25677 198.0
[M]+ 374.28155 196.6
[M]- 374.28265 196.6
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

patents stripe