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 189.1
[M+Na]+ 369.20364 195.4
[M-H]- 345.20714 195.3
[M+NH4]+ 364.24824 199.5
[M+K]+ 385.17758 196.5
[M+H-H2O]+ 329.21168 184.4
[M+HCOO]- 391.21262 189.4
[M+CH3COO]- 405.22827 195.4
[M+Na-2H]- 367.18909 190.0
[M]+ 346.21387 193.1
[M]- 346.21497 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.