CID 11674059

Ent-chromazonarol

Structural Information

Molecular Formula
C21H30O2
SMILES
C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC4=C(O3)C=CC(=C4)O)C)(C)C
InChI
InChI=1S/C21H30O2/c1-19(2)9-5-10-20(3)17(19)8-11-21(4)18(20)13-14-12-15(22)6-7-16(14)23-21/h6-7,12,17-18,22H,5,8-11,13H2,1-4H3/t17-,18+,20-,21+/m0/s1
InChIKey
ZKEMVUBEPDXJPL-IZZBFERCSA-N
Compound name
(4aS,6aR,12aR,12bS)-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

15
References

5
Patents

314.22458 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 176.6
[M+Na]+ 337.21380 183.4
[M-H]- 313.21730 181.0
[M+NH4]+ 332.25840 198.3
[M+K]+ 353.18774 179.4
[M+H-H2O]+ 297.22184 168.5
[M+HCOO]- 359.22278 185.2
[M+CH3COO]- 373.23843 186.1
[M+Na-2H]- 335.19925 181.7
[M]+ 314.22403 172.3
[M]- 314.22513 172.3
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