PubChemLite - Eurycomanone (C20H24O9)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@]4([C@H](C(=O)O3)O)O)O)(OC5)O)C)O

InChI

InChI=1S/C20H24O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9,11-14,16,22-24,26-27H,2,5-6H2,1,3H3/t9-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1

InChIKey

UCUWZJWAQQRCOR-OKNZMGBLSA-N

Compound name

(1R,4R,5R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	409.14931	184.8
[M+Na]+	431.13125	190.9
[M+NH4]+	426.17585	194.7
[M+K]+	447.10519	184.4
[M-H]-	407.13475	184.6
[M+Na-2H]-	429.11670	183.3
[M]+	408.14148	185.7
[M]-	408.14258	185.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.14931

184.8

[M+Na]+

431.13125

190.9

[M+NH4]+

426.17585

194.7

[M+K]+

447.10519

184.4

[M-H]-

407.13475

184.6

[M+Na-2H]-

429.11670

183.3

[M]+

408.14148

185.7

[M]-

408.14258

185.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Eurycomanone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe