1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione

Basic Information

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CAS Number

55954-61-5

Molecular Formula

C30H16O9

Molecular Weight

520.45 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

Boiling Point

994.7±65.0 °C at 760 mmHg

Density

2.0±0.1 g/cm3

Flash Point

569.2±30.8 °C

Solubility

In water, 2.85X10-4 mg/L at 25 °C (est)

Vapor Pressure

1.8X10-27 mm Hg at 25 °C (est)

SMILES

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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)CO)O)O)O

InChI

InChI=1S/C30H16O9/c1-7-2-9(32)19-23-15(7)16-8(6-31)3-10(33)20-24(16)28-26-18(12(35)5-14(37)22(26)30(20)39)17-11(34)4-13(36)21(29(19)38)25(17)27(23)28/h2-5,31-37H,6H2,1H3

InChIKey

YXBUQQDFTYOHQI-UHFFFAOYSA-N

LogP

4.264920000000005

Topological Polar Surface Area

175.74999999999997 Å²

Hydrogen Bond Donor/Acceptor

7 / 9

Complexity

1190

Safety Information

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Hazard Statement

Storage Conditions

-20℃

Synonyms & References

English

pseudohypericin
NS00094601
MQ0U4663ZO
SMP2_000351
Pseudohypericin, analytical standard
NSC624609
55954-61-5
UNII-MQ0U4663ZO
PHENANTHRO(1,10,9,8-OPQRA)PERYLENE-7,14-DIONE, 1,3,4,6,8,13-HEXAHYDROXY-10-(HYDROXYMETHYL)-11-METHYL-
PSEUDOHYPERICIN (CONSTITUENT OF ST. JOHN'S WORT) [DSC]
Pseudohypericin , HPLC Grade
hexahydroxy-(hydroxymethyl)-methyl-[?]dione
MFCD00133794
SCHEMBL25982
BDBM50333880
FT-0645051
BIDD:PXR0086
Q-100649
1,3,4,6,8,13-hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione
LMPK13040014
Phenanthro(1,10,9,8-opgra)perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10-(hydroxymethyl)-11-methyl-, stereoisomer
9,11,13,16,18,20-hexahydroxy-5-(hydroxymethyl)-24-methyloctacyclo[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
BCP15641
NSC-624609
HSDB 8107
HSCI1_000222
DTXSID00204541
Pseudohypericin, >=95% (HPLC)
Psuedohypericin
Pseudohypericin
HA062629

MDL Number

MFCD00133794

FAQ

What is 1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione (CAS: 55954-61-5)?

1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione (CAS: 55954-61-5) is a complex organic compound with a unique structure. It is characterized by a phenanthroperylene backbone with multiple hydroxyl groups and a methyl substituent. It is known for its optical properties and potential use in various applications.

What are the main uses of 1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione (CAS: 55954-61-5)?

The main uses of 1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione include its application in photonics, as a light-emitting material, and in the synthesis of other organic compounds. It is also used in research for studying electronic properties and in the development of novel materials.

Is 1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione (CAS: 55954-61-5) safe?

1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione is generally considered safe for laboratory use with proper handling. However, it is important to follow safety guidelines, such as wearing appropriate protective gear and ensuring proper ventilation. Exposure to this compound should be minimized to avoid any potential health risks.

How should 1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione (CAS: 55954-61-5) be stored?

1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to use a sealed container to prevent exposure to air. Storage at temperatures below 25°C is advised to maintain stability and minimize degradation.