Npc269297
Basic information
- CAS
50773-42-7- Standard SMILES
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C- InChIKey
OZIHYFWYFUSXIS-UHFFFAOYSA-N- Molecular formula
- C51H82O20
- Average molar mass
- 1,015.2 g/mol
- Monoisotopic mass
- 1,014.539945
Overview
See also: Parissaponin Pb (annotation moved to); Asperin (annotation moved to).
Names & identifiers
- Preferred name
- Npc269297
- IUPAC
- 2-[4,5-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-(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-(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
RefChem:1092994Npc269297DIOSGENIN TETRAGLYCOSIDENSC3068642-[4,5-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-(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-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triolCHEMBL2004307SCHEMBL29395945DTXSID50965019s3279NSC-306864DA-56973LS-15499
Show more names
AsperinParis saponin IIParis IIformosanin CParrisaponinParissaponin PbFormosanin C-RMAesculus extractStemonoinoside IIPolyphyllin B, ≥98%
NCI60_002618Spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->4)]hexopyranoside
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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