PubChemLite - 135023-20-0 (C26H24O7)

Structural Information

Molecular Formula

SMILES

CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)CC5C6=C4C(=CC(=C6OC5(C)C)OC)O)O)C

InChI

InChI=1S/C26H24O7/c1-25(2)7-6-11-16(32-25)9-15(28)20-21(29)12-8-13-18-19(23(12)31-22(11)20)14(27)10-17(30-5)24(18)33-26(13,3)4/h6-7,9-10,13,27-28H,8H2,1-5H3

InChIKey

HKEMUQOOVFTSNA-UHFFFAOYSA-N

Compound name

12,23-dihydroxy-21-methoxy-8,8,18,18-tetramethyl-3,9,19-trioxahexacyclo[15.6.1.02,15.04,13.05,10.020,24]tetracosa-1(24),2(15),4(13),5(10),6,11,20,22-octaen-14-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]+	449.15948	204.8
[M+Na]+	471.14142	217.1
[M-H]-	447.14492	212.8
[M+NH4]+	466.18602	220.1
[M+K]+	487.11536	215.8
[M+H-H2O]+	431.14946	196.3
[M+HCOO]-	493.15040	212.6
[M+CH3COO]-	507.16605	214.7
[M+Na-2H]-	469.12687	209.5
[M]+	448.15165	214.4
[M]-	448.15275	214.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.15948

204.8

[M+Na]+

471.14142

217.1

[M-H]-

447.14492

212.8

[M+NH4]+

466.18602

220.1

[M+K]+

487.11536

215.8

[M+H-H2O]+

431.14946

196.3

[M+HCOO]-

493.15040

212.6

[M+CH3COO]-

507.16605

214.7

[M+Na-2H]-

469.12687

209.5

[M]+

448.15165

214.4

[M]-

448.15275

214.4

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

135023-20-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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