(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate

Compound number:
MolPort-019-936-732
CAS number: 133645-37-1
IUPAC:
(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-7-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC traditional:
(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,5H,6H,7aH-cyclopenta[c]pyran-7-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILES:
C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C12)OC(=O)\C=C\c1ccc(O)cc1 |r,c:7|
InChI key:
AZKQDXZMKREFDY-LGKDJQOASA-N
Molecular formula:
C24H30O12
Molecular weight: 510.492
Solubility: not available

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Supplier Catalogue Data


Catalog: Screening compound Ships out: 15 business days Purity: 90
Last updated: yesterday In warehouse: 100.00 mg
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1 mg February 13, 2020 88.55 USD
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2 mg February 13, 2020 118.45 USD
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3 mg February 13, 2020 148.35 USD
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More Information

Compound Identifiers
Compound number: MolPort-019-936-732
CAS number: 133645-37-1

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000042875231
ZINC000067902492
8-O-4-Hydroxycinnamoylharpagide

InChI
InChI: 1S/C24H30O12/c1-23(36-16(28)7-4-12-2-5-13(26)6-3-12)10-15(27)24(32)8-9-33-22(20(23)24)35-21-19(31)18(30)17(29)14(11-25)34-21/h2-9,14-15,17-22,25-27,29-32H,10-11H2,1H3/b7-4+/t14-,15-,17-,18+,19-,20?,21+,22+,23+,24-/m1/s1
InChI key: AZKQDXZMKREFDY-LGKDJQOASA-N

Calculated Properties
Molecular formula: C24H30O12
Molecular weight: 510.492

Other

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