Basic information
- CAS
50773-42-7- Standard SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1CC3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]8O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)C(O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
OZIHYFWYFUSXIS-KORJSKJVSA-N- Molecular formula
- C51H82O20
- Average molar mass
- 1,015.2 g/mol
- Monoisotopic mass
- 1,014.539945
Names & identifiers
- Preferred name
- beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl-(1-4))-
- IUPAC
- (2S,3S,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- English name
- formosanin C
- Molecular formula
- C51H82O20
- Molecular weight
- 1015.19
Names & synonyms
NSC 306864beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-6-deoxy-alpha-L-mannopyranosyl-(1-4))-SCHEMBL28041217AsperinParis saponin IIParis IIformosanin CParrisaponinParissaponin PbFormosanin C-RMAesculus extractStemonoinoside II
Show more names
Polyphyllin B, ≥98%
Database identifiers
- CAS
50773-42-7- PubChem CID
- 73597
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 295 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 9
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,900
Physicochemical properties
- Melting point
- 222 · 222~231℃
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, protect from light
- solubility
- Soluble in pyridine;
- form
- powder
- pka
- 12 · 12+-.0.70(Predicted)
- color
- White
- Water Solubility
- sparingly soluble in water
- Major Application
- food and beverages
- InChIKey
- OZIHYFWYFUSXIS-KORJSKJVSA-N
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- WGK Germany
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Usesfood and beverages
Suppliers100 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]
成都曼思特生物科技有限公司18010516991 · [email protected]
陕西新阳禾生物科技有限公司18391023245 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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