Basic information
- CAS
599-07-5- Standard SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1- InChIKey
IDGXIXSKISLYAC-WNTKNEGGSA-N- Molecular formula
- C30H46O6
- Average molar mass
- 502.7 g/mol
- Monoisotopic mass
- 502.32943918
Overview
Medicagenic acid is a triterpenoid.
Names & identifiers
- Preferred name
- Medicagenic acid
- IUPAC
- (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
- English name
- medicagenic acid
- Molecular formula
- C30H46O6
- Molecular weight
- 502.69
Names & synonyms
Medicagenic acid599-07-5NSC-382024(4S)-2beta,3beta-Dihydroxyolean-12-ene-23,28-dioic acid7X05537I17DTXSID3010320432-beta,3-beta-Dihydroxyolean-12-ene-23,28-dioic acidRefChem:925419DTXCID201517048CastanogeninMedicogenic acidMFCD02752364
Show more names
CatsanogeninMedicagenic acid-RMmedicagenic acid USP/EP/BPmedicagenic acid (Standard)medicagenic acid, 10 mM in DMSOinhibit,Inhibitor,Bacterial,medicagenic acid(4S)-2β,3β-Dihydroxyolean-12-ene-23,28-dioic acid
NSC382024(2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acidCHEMBL520726medicagenicacidOlean-12-ene-23,28-dioic acid, 2,3-dihydroxy-, (2.beta.,3.beta.,4.alpha.)-CCRIS 6615NSC 382024Medicagensaure
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,020
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]
Physicochemical properties
- Melting point
- 380 · 380-382℃ (dec.)
- Boiling point
- 635.9 · 635.9±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Pyridine
- form
- Solid
- pka
- 4.3 · 4.30±0.70(Predicted)
- color
- White to Off-White
- Major Application
- food and beverages
- InChIKey
- IDGXIXSKISLYAC-WNTKNEGGSA-N
- SMILES
- O[C@@H]1[C@@]([C@H]2[C@@]([C@@H]3[C@]([C@@]4(CC[C@@]5([C@@H](CC(CC5)(C)C)C4=CC3)C(=O)O)C)(CC2)C)(C[C@@H]1O)C)(C)C(=O)O
- FDA UNII
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesMedicagenic acid is a versatile compound extracted from some plants, such as the branches of Eucommia ulmoides. It has antifungal properties towards candida albicans.
Suppliers74 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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