PubChemLite - 138008-04-5 (C30H40O7)

Structural Information

Molecular Formula

SMILES

CC1CC2(CC(C(=O)O2)C)C3C1C4(C(C(=O)C5=C(C4(C3=O)C)C(CC6C5(CCC(=O)C6(C)C)C)O)O)C

InChI

InChI=1S/C30H40O7/c1-13-11-30(12-14(2)25(36)37-30)21-18(13)28(6)24(35)22(33)20-19(29(28,7)23(21)34)15(31)10-16-26(3,4)17(32)8-9-27(16,20)5/h13-16,18,21,24,31,35H,8-12H2,1-7H3

InChIKey

BINIQAMAYCKIRZ-UHFFFAOYSA-N

Compound name

10',20'-dihydroxy-2',3,7',9',13',17',17'-heptamethylspiro[oxolane-5,5'-pentacyclo[10.8.0.02,9.04,8.013,18]icos-1(12)-ene]-2,3',11',16'-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]+	513.28468	212.9
[M+Na]+	535.26662	223.2
[M-H]-	511.27012	219.2
[M+NH4]+	530.31122	236.4
[M+K]+	551.24056	216.5
[M+H-H2O]+	495.27466	212.0
[M+HCOO]-	557.27560	214.8
[M+CH3COO]-	571.29125	220.8
[M+Na-2H]-	533.25207	209.1
[M]+	512.27685	213.2
[M]-	512.27795	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.28468

212.9

[M+Na]+

535.26662

223.2

[M-H]-

511.27012

219.2

[M+NH4]+

530.31122

236.4

[M+K]+

551.24056

216.5

[M+H-H2O]+

495.27466

212.0

[M+HCOO]-

557.27560

214.8

[M+CH3COO]-

571.29125

220.8

[M+Na-2H]-

533.25207

209.1

[M]+

512.27685

213.2

[M]-

512.27795

213.2

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

138008-04-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe