5-hydroxy-7-methoxy-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one



Compound number:
MolPort-000-450-939
CAS number: 154-36-9
IUPAC:
5-hydroxy-7-methoxy-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
IUPAC traditional:
5-hydroxy-7-methoxy-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one
SMILES:
COc1cc(O)c2c(c1)occ(-c1ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1)c2=O |r|
InChI key:
OFUWGCQDMVDLIR-RECXWPGBSA-N
Molecular formula:
C22H22O10
Molecular weight: 446.408
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 6 business days Purity: >90%
Last updated: today In warehouse: 35.60 mg
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1 mg November 3, 2020 54.00 USD
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3 mg November 3, 2020 63.00 USD
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Catalog: Screening compound Ships out: 12 business days Purity: 95
Last updated: this week In warehouse: 20.00 mg
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2 mg November 11, 2020 119.42 USD
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3 mg November 11, 2020 149.27 USD
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: 92 - 98%
Last updated: > 3 months ago In warehouse: 300.00 mg
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3 micromol November 2, 2020 152.00 USD
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5 micromol November 2, 2020 241.00 USD
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10 micromol November 2, 2020 394.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-000-450-939
CAS number: 154-36-9

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003055309
3-{4-[(2S,4S,5S,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydr opyran-2-yloxy)]phenyl}-5-hydroxy-7-methoxychromen-4-one
5-hydroxy-7-methoxy-3-(4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4H-chromen-4-one
5-Hydroxy-7-methoxy-3-[4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-chromen-4-one

InChI
InChI: 1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
InChI key: OFUWGCQDMVDLIR-RECXWPGBSA-N

Calculated Properties
Molecular formula: C22H22O10
Molecular weight: 446.408

Other

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2020 MolPort, v3.96, release date 25-10-2020 12:00 (+0200). All rights reserved.
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