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Oxypeucedan hydrate , CAS No.133164-11-1

COA

Cas Number: 133164-11-1
Molecular Weight: 304.29
PubChem CID: 899657

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Item Number

O412618

Grouped product items
SKU	Size	Availability	Price	Qty
O412618-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$531.90

Basic Description

Synonyms	(-)-Oxypeucedanin hydrate \| 5-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one \| 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(2S)-2,3-dihydroxy-3-methylbutoxy]- \| HY-N2254 \| (-)-Prangol \| 4-[(2S)-2,3-dihydroxy-3-methyl-butoxy]furo[3,2-g]chromen-7-one
Biochemical and Physiological Mechanisms	Oxypeucedanin hydrate is a natural coumarin compound found in several plants that exhibits anti-infective and antifungal activities.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Oxypeucedanin hydrate is a natural coumarin compound found in several plants that exhibits anti-infective and antifungal activities.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives
    - Subclass Furanocoumarins
      - Level5 Linear furanocoumarins
        Level6 Psoralens

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Furanocoumarins
Intermediate Tree Nodes	Linear furanocoumarins
Direct Parent	Psoralens
Alternative Parents	1-benzopyrans Benzofurans Pyranones and derivatives Alkyl aryl ethers Benzenoids Tertiary alcohols Heteroaromatic compounds Furans Secondary alcohols Lactones 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Tertiary alcohol - Furan - 1,2-diol - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4-[(2S)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
INCHI	InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m0/s1
InChIKey	PEWFWDOPJISUOK-ZDUSSCGKSA-N
Smiles	CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
Isomeric SMILES	CC(C)([C@H](COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O
Molecular Weight	304.29
Reaxy-Rn	90950
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=90950&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	304.290 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	304.095 Da
Monoisotopic Mass	304.095 Da
Topological Polar Surface Area	89.100 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	460.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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