(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Compound number:
MolPort-001-740-974
CAS number: 32727-29-0
IUPAC:
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC traditional:
isorhapontin
SMILES:
COc1cc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O |r|
InChI key:
KLPUXMNQDCUPNO-DXKBKAGUSA-N
Molecular formula:
C21H24O9
Molecular weight: 420.414
Solubility: not available
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: 97.5
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
5 mg December 13, 2019 460.00 USD
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S&H to USA: 145.00 USD
S&H to World: 175.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 15 business days Purity: 90
Last updated: this week In warehouse: 5.00 mg
Pack size Ships out Price Qty
1 mg December 27, 2019 248.40 USD
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2 mg December 27, 2019 319.70 USD
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3 mg December 27, 2019 391.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-001-740-974
CAS number: 32727-29-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000004098629
ISORHAPHONTIN
Isorhapontin

InChI
InChI: 1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
InChI key: KLPUXMNQDCUPNO-DXKBKAGUSA-N

Calculated Properties
Molecular formula: C21H24O9
Molecular weight: 420.414

Other

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Compound Solubility
2019 MolPort, v3.28, release date 17-11-2019 13:00 (+0200). All rights reserved.
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