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]+ 347.221696 189.1
[M+Na]+ 369.203638 195.4
[M-H]- 345.207144 195.3
[M+NH4]+ 364.248243 199.5
[M+K]+ 385.177578 196.5
[M+H-H2O]+ 329.211680 184.4
[M+HCOO]- 391.212621 189.4
[M+CH3COO]- 405.228271 195.4
[M+Na-2H]- 367.189086 190.0
[M]+ 346.21387142 193.1
[M]- 346.21496858 193.1
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.