CID 165350969

146902-95-6

Structural Information

Molecular Formula
C21H30O4
SMILES
CC(=O)O[C@@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@@H]6[C@H](C5)O6)C)C
InChI
InChI=1S/C21H30O4/c1-11(22)24-21-18(25-21)9-15-13-5-4-12-8-16-17(23-16)10-19(12,2)14(13)6-7-20(15,21)3/h12-18H,4-10H2,1-3H3/t12-,13+,14-,15-,16-,17+,18+,19-,20-,21-/m0/s1
InChIKey
AEFVYXKODUCZPV-MSCBHBOZSA-N
Compound name
[(1S,2S,4R,6S,8S,11R,12S,14R,16S,17S)-2,17-dimethyl-5,15-dioxahexacyclo[9.8.0.02,8.04,6.012,17.014,16]nonadecan-16-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.21442 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22170 162.6
[M+Na]+ 369.20364 174.5
[M+NH4]+ 364.24824 176.1
[M+K]+ 385.17758 169.5
[M-H]- 345.20714 179.9
[M+Na-2H]- 367.18909 169.7
[M]+ 346.21387 171.9
[M]- 346.21497 171.9
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.