-
Name
HYPERFORIN
- EINECS 200-659-6
- CAS No. 11079-53-1
- Density 1.011 g/cm3
- Solubility
- Melting Point 79-80℃
- Formula C35H52O4
- Boiling Point 616.825 °C at 760 mmHg
- Molecular Weight 536.795
- Flash Point 340.861 °C
- Transport Information
- Appearance White to off-white powder.
- Safety 7-16-36/37-45
- Risk Codes 11-23/24/25-39/23/24/25
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Molecular Structure
- Hazard Symbols F,T
- Synonyms Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl)-,(1R,5S,6R,7S)- (9CI);Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl)-,[1R-(6-endo,7-exo)]-;Bicyclo[3.3.1]non-3-ene-2,9-dione,4-hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-S-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl)-,[1R-(1a,5a,6b,7a)]-;
- PSA 71.44000
- LogP 8.98970
Hyperforin Chemical Properties
Molecular Structure of Hyperforin (11079-53-1):
IUPAC Name: (1R,5R,7S,8R)-1-Butanoyl-4-hydroxy-8-methyl-3,5,7-tris(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione
Molecular Formula: C35H52O4
Molecular Weight: 536.784980 g/mol
Canonical SMILES: CCCC(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C
Isomeric SMILES: CCCC(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C
InChI: InChI=1S/C35H52O4/c1-11-13-29(36)35-31(38)28(18-16-25(6)7)30(37)34(32(35)39,21-19-26(8)9)22-27(17-15-24(4)5)33(35,10)20-12-14-23(2)3/h14-16,19,27,37H,11-13,17-18,20-22H2,1-10H3/t27-,33+,34+,35-/m0/s1
InChIKey: RDEVUJPZGWFVRQ-HQKKAZOISA-N
Index of Refraction: 1.518
Molar Refractivity: 160.98 cm3
Molar Volume: 531 cm3
Surface Tension: 36.5 dyne/cm
Density: 1.01 g/cm3
Flash Point: 340.9 °C
Enthalpy of Vaporization: 104.9 kJ/mol
Boiling Point: 616.8 °C at 760 mmHg
Vapour Pressure: 8.53E-18 mmHg at 25 °C
Hyperforin Production
Hyperforin (11079-53-1) can be extracted from Hypericum perforatum (St John's wort), other Hypericum species contain low amounts of hyperforin. Total synthesis of Hyperforin has not yet been accomplished, despite attempts by several research groups.
Hyperforin Safety Profile
Safety Information of Hyperforin (11079-53-1):
WGK Germany: 3
Hyperforin Specification
Hyperforin (11079-53-1) is a prenylated phloroglucinol derivative, known as HSDB 7646 ; 4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl) bicyclo(3.3.1)non-3-ene-2,9-dione ; Bicyclo(3.3.1)(1,4)benzodiazepin-5-one, 4-Hydroxy-6-methyl-1,3,7-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6-(4-methyl-3-pentenyl)-, (1R,5S,6R,7S)- . It is unstable in the presence of light and oxygen. It is active against methicillin-resistant strains of Staphylococcus aureus (MRSA) and other gram-positive bacteria.
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