[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Compound number:
MolPort-001-740-556
CAS number: 118169-27-0
IUPAC:
[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
IUPAC traditional:
[(2R,3S,4S,5R,6S)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
SMILES:
CC(=O)OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
InChI key:
AKENCGNASJPQNR-LNNZMUSMSA-N
Molecular formula:
C23H22O12
Molecular weight: 490.417
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >=98%
Last updated: last week In warehouse: Unverified
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5 mg January 31, 2020 318.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-001-740-556
CAS number: 118169-27-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000031156160
MFCD11975461
6''-O-Acetylastragalin

InChI
InChI: 1S/C23H22O12/c1-9(24)32-8-15-17(28)19(30)20(31)23(34-15)35-22-18(29)16-13(27)6-12(26)7-14(16)33-21(22)10-2-4-11(25)5-3-10/h2-7,15,17,19-20,23,25-28,30-31H,8H2,1H3/t15-,17-,19+,20-,23+/m1/s1
InChI key: AKENCGNASJPQNR-LNNZMUSMSA-N

Calculated Properties
Molecular formula: C23H22O12
Molecular weight: 490.417

Other

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2020 MolPort, v3.33, release date 22-01-2020 14:00 (+0200). All rights reserved.
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