CID 134816068

Euphorantin s

Structural Information

Molecular Formula
C24H34O8
SMILES
C[C@H]1C[C@]23C(=O)[C@@H]([C@@H]([C@@H]4[C@@H](C4(C)C)[C@@H]([C@@H](/C(=C/[C@@]2([C@H]1O)O3)/C)OC(=O)C)O)OC(=O)C)C
InChI
InChI=1S/C24H34O8/c1-10-8-23-20(28)11(2)9-24(23,32-23)21(29)12(3)19(31-14(5)26)16-15(22(16,6)7)17(27)18(10)30-13(4)25/h8,11-12,15-20,27-28H,9H2,1-7H3/b10-8+/t11-,12+,15+,16-,17-,18+,19-,20-,23-,24-/m0/s1
InChIKey
OVQOWJIVCYKLQF-CHDFQERNSA-N
Compound name
[(1R,3R,4R,5R,7S,8S,9R,10E,12S,13S,14S)-9-acetyloxy-8,13-dihydroxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.22537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.23265 189.3
[M+Na]+ 473.21459 196.8
[M-H]- 449.21809 193.5
[M+NH4]+ 468.25919 193.5
[M+K]+ 489.18853 198.5
[M+H-H2O]+ 433.22263 194.8
[M+HCOO]- 495.22357 194.0
[M+CH3COO]- 509.23922 233.5
[M+Na-2H]- 471.20004 186.9
[M]+ 450.22482 199.3
[M]- 450.22592 199.3
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.