1-hydroxy-2-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione

Compound number:
MolPort-006-668-407
CAS number: 29706-59-0
IUPAC:
1-hydroxy-2-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
IUPAC traditional:
1-hydroxy-2-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}anthracene-9,10-dione
SMILES:
OCc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |r|
InChI key:
NVKNRXOMCYTFJF-WFLOGZPDSA-N
Molecular formula:
C26H28O14
Molecular weight: 564.496
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 15 business days Purity: 100
Last updated: today In warehouse: 100.00 mg
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1 mg March 12, 2020 248.40 USD
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2 mg March 12, 2020 319.70 USD
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3 mg March 12, 2020 391.00 USD
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More Information

Compound Identifiers
Compound number: MolPort-006-668-407
CAS number: 29706-59-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000042878492
Lucidin-primeveroside

InChI
InChI: 1S/C26H28O14/c27-6-12-14(5-11-16(19(12)31)18(30)10-4-2-1-3-9(10)17(11)29)39-26-24(36)22(34)21(33)15(40-26)8-38-25-23(35)20(32)13(28)7-37-25/h1-5,13,15,20-28,31-36H,6-8H2/t13-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1
InChI key: NVKNRXOMCYTFJF-WFLOGZPDSA-N

Calculated Properties
Molecular formula: C26H28O14
Molecular weight: 564.496

Other

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2020 MolPort, v3.4, release date 13-02-2020 13:00 (+0200). All rights reserved.
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