Basic information
- CAS
1449-05-4- Standard SMILES
CC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1- InChIKey
MPDGHEJMBKOTSU-UHFFFAOYSA-N- Molecular formula
- C30H46O4
- Average molar mass
- 470.7 g/mol
- Monoisotopic mass
- 470.33960994
Overview
See also: Glycyrrhetinic Acid (annotation moved to); 18Alpha-Glycyrrhetinic Acid (annotation moved to); Biosone (annotation moved to).
Names & identifiers
- Preferred name
- Glycyrrhetin
- IUPAC
- 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
- English name
- 18alpha-Glycyrrhetinic acid
- Molecular formula
- C30H46O4
- Molecular weight
- 470.68
Names & synonyms
Glycyrrhetin3-Hydroxy-11-oxoolean-12-en-29-oic acid3-Glycyrrhetinic acid.alpha.-Glycyrrhetinic acid18.beta.-Glycyrrhetic acid18.beta.-Glycyrrhtinic acid18.beta.-Glycyrrhetinic acidNSC3535010-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid3.beta.-Hydroxy-11-oxoolean-12-en-30-oic acidOlean-12-en-30-oic acid, 3.beta.-hydroxy-11-oxo-NSC 35347
Show more names
Nsc 35350TriterpeneCcris 3963Brn 2956366Einecs 215-907-918α-GlycyrrhetinicEnoxolone impurity A18a-Glycyrrhetic acid18α-Glycyrrhetic acid
18a-glycyrrhetinic acid.beta.-Glycyrrhetinic acidNSC-35350Glyccyrhetic acidNCGC00181115-01.beta.-Glycyrrhetic acid18-beta Glycyrrhetinic acidSCHEMBL25465
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 965
Experimental & physicochemical properties
LogP4.77
Physicochemical properties
- Melting point
- 331 · 331-333°C
- Boiling point
- 492.11 °C · 492.11°C (rough estimate)
- Density
- 0.9967 · 0.9967 (rough estimate)
- refractive index
- 1.48 · 1.4800 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.71 · 4.71±0.70(Predicted)
- color
- White to Off-White
- InChIKey
- MPDGHEJMBKOTSU-PMTKVOBESA-N
- SMILES
- [H][C@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O
- LogP
- 6.57 · 6.570 (est)
- CAS DataBase Reference
- 1449 · 1449-05-4(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- RK0190000
- hs_code
- 29189900
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- ection
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesSweeteners; sweetness improving agents; flavor enhancers (dairy products, cocoa products, egg products, mutton), flavoring agents (function well especially when used in combination with salt), Chinese folk mostly use it in sauce and sauce products, pickled goods and so on.
Uses18α-Glycyrrhetinic acid may be used to synthesize:3-keto-18α-glycyrrhetinic acid methyl esters of 18α-glycyrrhetinic acidmethyl esters of 3-keto-18α-glycyrrhetinic acid
General Description18α-Glycyrrhetinic acid (18α-GA) is a bioactive triterpenoid found in licorice. It shows selective inhibition of 11-HSD1 (11-hydroxysteroid dehydrogenase 1). It also shows anti-proliferative and apoptotic effect on hepatic stellate cells (HSCs).
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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