PubChemLite - 10,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),17-diene-6,2'-oxane]-16-one (C27H38O5)

Structural Information

Molecular Formula

SMILES

CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4=CCC6=CC(=O)C(CC56C)O)O)C)C)OC1

InChI

InChI=1S/C27H38O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h6,9,14-15,18-19,21-24,29-30H,5,7-8,10-13H2,1-4H3

InChIKey

QRAOBCVRMVGMTN-UHFFFAOYSA-N

Compound name

10,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),17-diene-6,2'-oxane]-16-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]+	443.27918	207.0
[M+Na]+	465.26112	213.3
[M-H]-	441.26462	213.0
[M+NH4]+	460.30572	226.2
[M+K]+	481.23506	208.2
[M+H-H2O]+	425.26916	201.3
[M+HCOO]-	487.27010	207.9
[M+CH3COO]-	501.28575	213.9
[M+Na-2H]-	463.24657	203.4
[M]+	442.27135	201.9
[M]-	442.27245	201.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.27918

207.0

[M+Na]+

465.26112

213.3

[M-H]-

441.26462

213.0

[M+NH4]+

460.30572

226.2

[M+K]+

481.23506

208.2

[M+H-H2O]+

425.26916

201.3

[M+HCOO]-

487.27010

207.9

[M+CH3COO]-

501.28575

213.9

[M+Na-2H]-

463.24657

203.4

[M]+

442.27135

201.9

[M]-

442.27245

201.9

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

10,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),17-diene-6,2'-oxane]-16-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe