PubChemLite - 70016-71-6 (C23H30O7)

Structural Information

Molecular Formula

SMILES

CC1CCC2C(C(C(CC2(C13CC4=C(C=C5C(OC(=O)C5=C4O3)O)O)C)O)O)(C)C

InChI

InChI=1S/C23H30O7/c1-10-5-6-15-21(2,3)18(26)14(25)9-22(15,4)23(10)8-12-13(24)7-11-16(17(12)30-23)20(28)29-19(11)27/h7,10,14-15,18-19,24-27H,5-6,8-9H2,1-4H3

InChIKey

ZOKPYYGORISXSI-UHFFFAOYSA-N

Compound name

2,3,4',6'-tetrahydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,6-dihydrofuro[3,4-g][1]benzofuran]-8'-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]+	419.20644	195.8
[M+Na]+	441.18838	205.0
[M-H]-	417.19188	200.6
[M+NH4]+	436.23298	214.5
[M+K]+	457.16232	201.5
[M+H-H2O]+	401.19642	193.4
[M+HCOO]-	463.19736	200.2
[M+CH3COO]-	477.21301	204.6
[M+Na-2H]-	439.17383	195.6
[M]+	418.19861	195.8
[M]-	418.19971	195.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.20644

195.8

[M+Na]+

441.18838

205.0

[M-H]-

417.19188

200.6

[M+NH4]+

436.23298

214.5

[M+K]+

457.16232

201.5

[M+H-H2O]+

401.19642

193.4

[M+HCOO]-

463.19736

200.2

[M+CH3COO]-

477.21301

204.6

[M+Na-2H]-

439.17383

195.6

[M]+

418.19861

195.8

[M]-

418.19971

195.8

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

70016-71-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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