CID 5278549

(2r,3r,4s,5r,6s)-2-methyl-6-[[(4r,7r)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1ah-cyclopropa[e]azulen-4-yl]oxy]tetrahydropyran-3,4,5-triol

Structural Information

Molecular Formula
C21H36O5
SMILES
C[C@@H]1CCC2C1C3C(C3(C)C)CC[C@@]2(C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C)O)O)O
InChI
InChI=1S/C21H36O5/c1-10-6-7-12-14(10)15-13(20(15,3)4)8-9-21(12,5)26-19-18(24)17(23)16(22)11(2)25-19/h10-19,22-24H,6-9H2,1-5H3/t10-,11-,12?,13?,14?,15?,16+,17+,18-,19+,21-/m1/s1
InChIKey
WKAWIUQHIDXDJS-ZLCNYEPYSA-N
Compound name
(2R,3R,4S,5R,6S)-2-methyl-6-[[(4R,7R)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-yl]oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.2563 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.26358 178.1
[M+Na]+ 391.24552 184.0
[M-H]- 367.24902 184.2
[M+NH4]+ 386.29012 190.1
[M+K]+ 407.21946 183.8
[M+H-H2O]+ 351.25356 175.8
[M+HCOO]- 413.25450 184.2
[M+CH3COO]- 427.27015 217.5
[M+Na-2H]- 389.23097 176.4
[M]+ 368.25575 177.0
[M]- 368.25685 177.0
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.