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1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione | CAS No. 548-04-9

1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione

Basic Information

Chemical_Structure_Of

CAS Number

548-04-9

Molecular Formula

C30H16O8

Molecular Weight

504.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

299-301°C

Boiling Point

No data available

Density

1.9150

Water Solubility

Soluble in ethanol, dimethyl sulfoxide, methanol, acetone, ethylmethylketone, pyridine and sodium hydroxide. Insoluble in water.

Flash Point

584.6 °C

Solubility

1 M NaOH: 10 mg/mL

Refractive Index

2.13

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

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/h3-6,31-36H,1-2H3

InChIKey

BTXNYTINYBABQR-UHFFFAOYSA-N

LogP

5.081040000000005

Topological Polar Surface Area

155.51999999999998 Å²

Hydrogen Bond Donor/Acceptor

6 / 8

Complexity

1090

Safety Information

View Safety Information

GHS Hazard Pictograms

H301

H301

H317

H317

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H317 May cause an allergic skin reaction
Sensitization, Skin

Storage Conditions

-20℃

Synonyms & References

English

NCI60_003879
NCI60_006799
Hypericin from Hypericum perforatum, ~95% (HPLC)
1,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro [1,10,9,8-opqra]perylene-7,14-dione P-conformer
SGX301
MFCD00016683
Q-100618
Hypericin is known as an anthroquinone derivative found in St. John's Wort.
C30H16O8
CCRIS 8166
C07606
HY-N0453
rac-(3aM,10aM)-1,3,4,6,8,13-hexahydroxy-10,11- dimethylphenanthro[1,10,9,8-opqra]perylene-7,14- dione
SCHEMBL3182
SR-05000002344-2
NCGC00163378-02
Cyclo werro
hipericin
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-
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
Hypericin from Hypericum perforatum
AKOS015895658
BiomolKI_000032
hypericine
Hyperizin
FT-0627169
WHO 11835
NSC-407313
Hypericin, primary pharmaceutical reference standard
Hypericin - CAS 548-04-9
HSCI1_000202

MDL Number

MFCD00016683

Customs Code

2914700090

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

HuBeiXinKangYaoHuaYouXianGongSiHuaXueYanJiuSuo

CAS Number: 548-04-9

Chengdu Jeteng Biotechnology Co., Ltd.

CAS Number: 548-04-9

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