CID 73077690

Zna11230

Structural Information

Molecular Formula
C21H38O6
SMILES
CC1C(C(C(C(O1)OC(C)(C)C2CCC3(CCCC(C3C2)(C)O)C)O)O)O
InChI
InChI=1S/C21H38O6/c1-12-15(22)16(23)17(24)18(26-12)27-19(2,3)13-7-10-20(4)8-6-9-21(5,25)14(20)11-13/h12-18,22-25H,6-11H2,1-5H3
InChIKey
HUSBLOAZNQURFJ-UHFFFAOYSA-N
Compound name
2-[2-(8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-yloxy]-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.26685 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.27413 194.2
[M+Na]+ 409.25607 196.8
[M-H]- 385.25957 195.3
[M+NH4]+ 404.30067 207.1
[M+K]+ 425.23001 195.5
[M+H-H2O]+ 369.26411 189.7
[M+HCOO]- 431.26505 196.5
[M+CH3COO]- 445.28070 215.0
[M+Na-2H]- 407.24152 194.0
[M]+ 386.26630 188.5
[M]- 386.26740 188.5
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

No patent data available for this compound.