CID 132500437

(4as,6ar,12ar,12bs)-9-methoxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthen-10-ol

Structural Information

Molecular Formula
C22H32O3
SMILES
C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC4=CC(=C(C=C4O3)OC)O)C)(C)C
InChI
InChI=1S/C22H32O3/c1-20(2)8-6-9-21(3)18(20)7-10-22(4)19(21)12-14-11-15(23)17(24-5)13-16(14)25-22/h11,13,18-19,23H,6-10,12H2,1-5H3/t18-,19+,21-,22+/m0/s1
InChIKey
QINBUUXFAFYCAY-YUVXSKOASA-N
Compound name
(4aS,6aR,12aR,12bS)-9-methoxy-4,4,6a,12b-tetramethyl-1,2,3,4a,5,6,12,12a-octahydrobenzo[a]xanthen-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.23514 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24242 183.4
[M+Na]+ 367.22436 190.5
[M-H]- 343.22786 187.9
[M+NH4]+ 362.26896 204.1
[M+K]+ 383.19830 187.1
[M+H-H2O]+ 327.23240 175.4
[M+HCOO]- 389.23334 191.8
[M+CH3COO]- 403.24899 192.7
[M+Na-2H]- 365.20981 187.8
[M]+ 344.23459 181.4
[M]- 344.23569 181.4
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.