CID 3069552

84893-93-6

Structural Information

Molecular Formula
C23H38O8
SMILES
CC(C(=O)OC1[C@@H]2CC[C@@H]3C1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O)O
InChI
InChI=1S/C23H38O8/c1-11(24)18(27)31-17-12-6-7-13-21(5,29)14-8-15(25)19(2,3)23(14,30)16(26)9-22(13,17)10-20(12,4)28/h11-17,24-26,28-30H,6-10H2,1-5H3/t11?,12-,13-,14-,15-,16+,17?,20+,21+,22?,23-/m0/s1
InChIKey
XXODEMBNTRANPZ-NWRSHTILSA-N
Compound name
[(3R,4R,6S,8S,9R,10R,13S,14R)-3,4,6,9,14-pentahydroxy-5,5,9,14-tetramethyl-16-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.25668 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26396 180.5
[M+Na]+ 465.24590 180.3
[M+NH4]+ 460.29050 189.5
[M+K]+ 481.21984 177.4
[M-H]- 441.24940 175.7
[M+Na-2H]- 463.23135 180.5
[M]+ 442.25613 179.1
[M]- 442.25723 179.1
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.