PubChemLite - 77573-43-4 (C23H32O5)

Structural Information

Molecular Formula

SMILES

CC1CC2C(C2(C)C)C3C=C4COC(OC4C5(C1(C3=O)C=C(C5O)C)O)(C)C

InChI

InChI=1S/C23H32O5/c1-11-9-22-12(2)7-15-16(20(15,3)4)14(18(22)25)8-13-10-27-21(5,6)28-19(13)23(22,26)17(11)24/h8-9,12,14-17,19,24,26H,7,10H2,1-6H3

InChIKey

ONMDPPVVEFWDOD-UHFFFAOYSA-N

Compound name

4,5-dihydroxy-3,8,8,15,15,18-hexamethyl-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-19-one

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]+	389.23226	180.3
[M+Na]+	411.21420	186.7
[M+NH4]+	406.25880	189.5
[M+K]+	427.18814	182.6
[M-H]-	387.21770	187.3
[M+Na-2H]-	409.19965	183.5
[M]+	388.22443	184.6
[M]-	388.22553	184.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.23226

180.3

[M+Na]+

411.21420

186.7

[M+NH4]+

406.25880

189.5

[M+K]+

427.18814

182.6

[M-H]-

387.21770

187.3

[M+Na-2H]-

409.19965

183.5

[M]+

388.22443

184.6

[M]-

388.22553

184.6

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

77573-43-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe