Lucidin primeveroside
Completing data — refresh the page later to see the latest
Basic information
- CAS
29706-59-0- Standard SMILES
O=C1c2ccccc2C(=O)c2c1cc(O[C@@H]1O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c(CO)c2O- InChIKey
NVKNRXOMCYTFJF-WFLOGZPDSA-N- Molecular formula
- C26H28O14
- Average molar mass
- 564.5 g/mol
- Monoisotopic mass
- 564.14790556
Overview
Lucidinprimeveroside has been reported in Rubia argyi, Rubia wallichiana, and other organisms with data available.
Names & identifiers
- Preferred name
- Lucidin primeveroside
- IUPAC
- 1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
- English name
- lucidin 3-O-beta-primveroside
- Molecular formula
- C26H28O14
- Molecular weight
- 564.49
Names & synonyms
Lucidin primeveroside29706-59-0Lucidin 3-O-beta-primverosidelucidin 3-O-primverosideRefChem:433109LucidinprimeverosideLucidin 3-O-primeveroside1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione1-Hydroxy-2-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)anthracene-9,10-dione1-hydroxy-2-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-anthracene-9,10-dioneCCRIS 4532Lucidin 3-beta-primeveroside
Show more names
Ophiohayatone BLucidin 3-primverosideLucidin 3-β-primeverosidelucidin 3-O-β-primerosideLucidin 3-primeveroside-RMLucidin 3-O-β-primeverosideLucidin primeveroside (Standard)
Properties
Computed structural propertiesFilling in
- XLogP
- -2.1
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 918
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 210 · 210-212 °C
- Boiling point
- 942.5 · 942.5±65.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 6.43 · 6.43±0.20(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- Major Application
- food and beverages
- InChIKey
- NVKNRXOMCYTFJF-WFLOGZPDSA-N
- SMILES
- O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO[C@@H]5OC[C@H]([C@@H]([C@H]5O)O)O)O)O)O)Oc2cc3c(c(c2CO)O)C(=O)c4c(cccc4)C3=O
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08,GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H351
- Hazard Classifications
- Acute Tox. 4 OralCarc. 2
- Precautionary statements
- P201-P202-P264-P280-P308+P313-P501
Chemistry & industry
Applications
Usesfood and beverages
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…