PubChemLite - Physalin n (C28H30O10)

Structural Information

Molecular Formula

SMILES

CC12CC3C4(C56C1C(=O)C(O5)(C7C(CCC6(C(=O)O4)O)C8(C(=CC7O)CC=CC8=O)C)OCC2C(=O)O3)C

InChI

InChI=1S/C28H30O10/c1-23-10-17-25(3)28-19(23)20(31)27(38-28,35-11-14(23)21(32)36-17)18-13(7-8-26(28,34)22(33)37-25)24(2)12(9-15(18)29)5-4-6-16(24)30/h4,6,9,13-15,17-19,29,34H,5,7-8,10-11H2,1-3H3

InChIKey

NYNVPVLQKXUEJM-UHFFFAOYSA-N

Compound name

5,16-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,14-diene-4,10,22,29-tetrone

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]+	527.19118	254.1
[M+Na]+	549.17312	254.3
[M+NH4]+	544.21772	256.4
[M+K]+	565.14706	247.8
[M-H]-	525.17662	253.5
[M+Na-2H]-	547.15857	246.9
[M]+	526.18335	254.1
[M]-	526.18445	254.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

527.19118

254.1

[M+Na]+

549.17312

254.3

[M+NH4]+

544.21772

256.4

[M+K]+

565.14706

247.8

[M-H]-

525.17662

253.5

[M+Na-2H]-

547.15857

246.9

[M]+

526.18335

254.1

[M]-

526.18445

254.1

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

Physalin n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe