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Hypericin - analytical standard，≥96%, high purity , CAS No.548-04-9

2 Citations

COA

Grade & Purity:

analytical standard

Moligand™

≥96%

Cas Number: 548-04-9
Molecular Weight: 504.44
Beilstein Registry Number: 1917913
EC Number: 208-941-0
MDL number: MFCD00016683
PubChem CID: 3663

In stock

Item Number

H110187

Grouped product items
SKU	Size	Availability	Price	Qty
H110187-10mg	10mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$199.90
H110187-25mg	25mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$399.90

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Basic Description

Synonyms	CCG-36081 \| 1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione \| 4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethylnaphthodianthrone \| hypericin \| DTXSID40203270 \| Hypericin & Visible light \| LMPK13040001 \| NCI60_006799 \| M01850 \| MFCD0001668
Specifications & Purity	Moligand™, analytical standard, ≥96%
Storage Temp	Protected from light,Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	analytical standard, Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Pyrenes
    - Subclass Benzopyrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Pyrenes
Subclass	Benzopyrenes
Intermediate Tree Nodes	Not available
Direct Parent	Benzopyrenes
Alternative Parents	Perylenequinones Triphenylenes Chrysenes Phenanthrols Anthracenes Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Benzo-e-pyrene - Benzo-a-pyrene - Perylenequinone - Triphenylene - Chrysene - Phenanthrol - Phenanthrene - Anthracene - 1-naphthol - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
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	9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione
INCHI	InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3
InChIKey	YDOIFHVUBCIUHF-UHFFFAOYSA-N
Smiles	CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O
Isomeric SMILES	CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O
WGK Germany	3
Alternate CAS	1372719-41-9,548-04-9
NSC Number	407313
MeSH Entry Terms	1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione;hipericin;hypericin;hypericum red;mono-(123I)iodohypericin;SGX-301;SGX301
Molecular Weight	504.44
Beilstein	1917913
Reaxy-Rn	35831525
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35831525&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
G2215448	Certificate of Analysis	Apr 07, 2024	H110187
H1921061	Certificate of Analysis	May 09, 2023	H110187
I2008163	Certificate of Analysis	Jul 11, 2022	H110187
I2008162	Certificate of Analysis	Jul 11, 2022	H110187

Chemical and Physical Properties

Sensitivity	Light sensitive；Moisture sensitive
Molecular Weight	504.400 g/mol
XLogP3	5.700
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	504.085 Da
Monoisotopic Mass	504.085 Da
Topological Polar Surface Area	156.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	1090.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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