2-[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid

Compound number:
MolPort-001-740-876
CAS number: 58822-47-2
IUPAC:
2-[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid
IUPAC traditional:
[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid
SMILES:
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC(O)=O |r,t:4|
InChI key:
MQLSOVRLZHTATK-PEYNGXJCSA-N
Molecular formula:
C17H24O11
Molecular weight: 404.368

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: 98.0
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5 mg August 29, 2019 395.00 USD
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Catalog: Screening compound Ships out: 15 business days Purity: 84
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1 mg September 12, 2019 248.40 USD
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2 mg September 12, 2019 319.70 USD
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3 mg September 12, 2019 391.00 USD
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Catalog: Screening compound Ships out: 7 business days Purity: n/a
Last updated: > 3 months ago In warehouse: Unverified Salt: free base
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1 mg September 2, 2019 172.80 USD
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Supplier Catalogue Data


Catalog: Screening compound Ships out: 5 business days Purity: >=98%
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20 mg August 29, 2019 158.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-001-740-876
CAS number: 58822-47-2

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000031157290
MFCD20260822
Secoxyloganin

InChI
InChI: 1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1
InChI key: MQLSOVRLZHTATK-PEYNGXJCSA-N

Calculated Properties
Molecular formula: C17H24O11
Molecular weight: 404.368

Other

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2019 MolPort, v3.09, release date 20-08-2019 16:00 (+0200). All rights reserved.
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