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Chemical structure of 6-Aldehydoisoophiopogonone A

GC72048

6-Aldehydoisoophiopogonone A

Also known as 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxochromene-6-carbaldehyde

6-Aldehydoisoophiopogonone A is a homoisoflavonoid that can be isolated from Ophiopogon japonicus

ChemicalCAS112500-90-0MW354.31FormulaC19H14O7
CAS number
112500-90-0
Molecular weight
354.31
Formula
C19H14O7
InChIKey
RTHZSGZAVUIROF-UHFFFAOYSA-N
Catalogue number
GC72048
Brand
GLPBIO
Computed properties PubChem CID 5317207 · XLogP 3.5 · TPSA 102 Ų · H-bond donors 2
XLogP
3.5
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
26

SMILES CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O

Computed descriptors from PubChem (CID 5317207), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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