| Identification | Back Directory | [Name]
MARRUBIIN | [CAS]
465-92-9 | [Synonyms]
Marrubin
MARRUBIIN
MARRUBIIN(P)
Marrubiin CRS
MARRUBIIN(SH)
MarrubiuM bitter
5-[2-(3-furyl)ethyl]decahydro-5-hydroxy-1,4a,6-trimethyl-1,8-naphthalenecarbolactone
6β-[2-(3-Furanyl)ethyl]decahydro-6α-hydroxy-2aα,5aβ,7α-trimethyl-2H-naphtho[1,8-bc]furan-2-one
2H-Naphtho[1,8-bc]furan-2-one, 6-[2-(3-furanyl)ethyl]decahydro-6-hydroxy-2a,5a,7-trimethyl-, (2aS,5aS,6R,7R,8aR,8bR)- | [Molecular Formula]
C20H28O4 | [MDL Number]
MFCD00075701 | [MOL File]
465-92-9.mol | [Molecular Weight]
332.43 |
| Chemical Properties | Back Directory | [Melting point ]
159-162°C | [alpha ]
D20 +35.8° (c = 3.1 in chloroform); D24 +45° (acetone) | [Boiling point ]
297-299 °C(Press: 15 Torr) | [density ]
1.152±0.06 g/cm3 (20 ºC 760 Torr) | [storage temp. ]
4°C, protect from light | [solubility ]
DMSO: 100 mg/mL (300.82 mM) | [form ]
A solid | [pka]
14.66±0.70(Predicted) | [color ]
White to off-white | [biological source]
plant | [Optical Rotation]
+35.820 (c 3.1, CHCl3) | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [InChI]
1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1 | [InChIKey]
HQLLRHCTVDVUJB-OBHOOXMTSA-N | [SMILES]
[o]1cc(cc1)CC[C@@]2([C@@]3([C@H]4[C@H](OC(=O)[C@]4(CCC3)C)C[C@H]2C)C)O | [LogP]
3.400 (est) |
| Safety Data | Back Directory | [Risk Statements ]
25 | [Safety Statements ]
1-22-45 | [RIDADR ]
2811 | [WGK Germany ]
WGK 3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Uses]
Marrubiin is an α-glucosidase inhibitor and an analgesic compound. | [Definition]
ChEBI: Marrubiin is a gamma-lactone. | [Biological Activity]
Based on existing researchMarrubiin has demonstrated the ability to inhibit the production of pro-inflammatory cytokines and reduce the activity of enzymes involved in oxidative stress. Additionallyit has been observed to lower blood pressure and provide protection against ischemic heart injury. | [storage]
4°C, protect from light |
|
| Company Name: |
Alfa Chemistry
|
| Tel: |
1-516-6625404 |
| Website: |
https://www.alfa-chemistry.com |
|