CID 171666195

Chebi:231481

Structural Information

Molecular Formula
C30H44O8
SMILES
CC(=O)O[C@@H]1C[C@@H]2[C@@]([C@@H]3[C@@]1(C4=CC[C@H]([C@@]4(CC3)C)C(CC=O)CO)C)([C@H](CC(=O)OC2(C)C)OC(=O)C)C
InChI
InChI=1S/C30H44O8/c1-17(33)36-24-14-23-27(3,4)38-26(35)15-25(37-18(2)34)30(23,7)22-10-12-28(5)20(19(16-32)11-13-31)8-9-21(28)29(22,24)6/h9,13,19-20,22-25,32H,8,10-12,14-16H2,1-7H3/t19?,20-,22-,23-,24+,25-,28-,29-,30+/m0/s1
InChIKey
RVDMHQHLUPFLON-HGDRCIAJSA-N
Compound name
[(1R,2R,3S,8R,10R,11R,15S,16S)-3-acetyloxy-15-(1-hydroxy-4-oxobutan-2-yl)-2,7,7,11,16-pentamethyl-5-oxo-6-oxatetracyclo[9.7.0.02,8.012,16]octadec-12-en-10-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.3036 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.31088 214.5
[M+Na]+ 555.29282 217.2
[M+NH4]+ 550.33742 222.2
[M+K]+ 571.26676 211.1
[M-H]- 531.29632 213.2
[M+Na-2H]- 553.27827 214.1
[M]+ 532.30305 214.6
[M]- 532.30415 214.6
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.