PubChemLite - Kuwanon z (C34H26O10)

Structural Information

Molecular Formula

SMILES

CC12CC(C3=C(O1)C=C(C=C3)O)C45C(C2=O)C6=C(C=C(C=C6OC4(O5)C7=C(C=C(C=C7)O)O)/C=C\C8=C(C=C(C=C8)O)O)O

InChI

InChI=1S/C34H26O10/c1-32-15-23(21-8-6-20(37)14-27(21)42-32)33-30(31(32)41)29-26(40)10-16(2-3-17-4-5-18(35)12-24(17)38)11-28(29)43-34(33,44-33)22-9-7-19(36)13-25(22)39/h2-14,23,30,35-40H,15H2,1H3/b3-2-

InChIKey

HEAKAXOVOXEHND-IHWYPQMZSA-N

Compound name

4-(2,4-dihydroxyphenyl)-8-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-10,18-dihydroxy-14-methyl-3,5,15-trioxahexacyclo[12.7.1.02,4.02,12.06,11.016,21]docosa-6,8,10,16(21),17,19-hexaen-13-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]+	595.15988	239.2
[M+Na]+	617.14182	256.2
[M+NH4]+	612.18642	249.3
[M+K]+	633.11576	245.6
[M-H]-	593.14532	254.6
[M+Na-2H]-	615.12727	244.4
[M]+	594.15205	247.9
[M]-	594.15315	247.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.15988

239.2

[M+Na]+

617.14182

256.2

[M+NH4]+

612.18642

249.3

[M+K]+

633.11576

245.6

[M-H]-

593.14532

254.6

[M+Na-2H]-

615.12727

244.4

[M]+

594.15205

247.9

[M]-

594.15315

247.9

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

Kuwanon z

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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