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3-Methoxyoxohernandaline
[CAS# 872729-34-5]

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CAS#: 872729-34-5
Product: 3-Methoxyoxohernandaline
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Identification
Name 3-Methoxyoxohernandaline
Molecular Structure CAS#: 872729-34-5, 3-Methoxyoxohernandaline
Molecular Formula C29H25NO9
Molecular Weight 531.52
CAS Registry Number 872729-34-5
SMILES COC1=C(C=C(C(=C1)C=O)OC2=C(C=C3C(=C2)C(=O)C4=NC=CC5=C4C3=C(C(=C5OC)OC)OC)OC)OC
InChI 1S/C29H25NO9/c1-33-19-9-14(13-31)18(12-21(19)35-3)39-22-11-17-16(10-20(22)34-2)24-23-15(7-8-30-25(23)26(17)32)27(36-4)29(38-6)28(24)37-5/h7-13H,1-6H3
InChIKey OULKCFNJYHCFPY-UHFFFAOYSA-N
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