2-[2-[[17-[2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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Basic information
- CAS
11021-14-0- Standard SMILES
CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C- InChIKey
JDCPEKQWFDWQLI-UHFFFAOYSA-N- Molecular formula
- C53H90O22
- Average molar mass
- 1,079.3 g/mol
- Monoisotopic mass
- 1,078.59237449
Names & identifiers
- Preferred name
- 2-[2-[[17-[2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- 2-[2-[[17-[2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- English name
- Ginsenoside Rc
- Molecular formula
- C53H90O22
- Molecular weight
- 1079.27
Names & synonyms
2-[2-[[17-[2-[6-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSCHEMBL27947082CHEBI:91809NSC310104AKOS026750610SMP2_000126NCGC00482515-01LS-15508DB-050341BRD-A65550283-001-01-9NSC 310104Panaxoside Rc
Show more names
insenoside RcGINSENOSIDE RCglucopyranosyl-Ginsenoside Rc-RMGinsenoside Rc (P)Ginsenoside Rc(AS)Ginsenoside Rc ,98%GINSENOSIDE RC WITH HPLC
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 357 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 16
- Heavy atoms
- 75
- Formal charge
- 0
- Complexity
- 1,950
Physicochemical properties
- Melting point
- 199 · 199~201℃
- Boiling point
- 1128.3 · 1128.3±65.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Pyridine (Slightly)
- form
- Solid
- pka
- 12.85 · 12.85±0.70(Predicted)
- color
- White to Pale Yellow
- biological source
- plant root (Panax ginseng)
- Stability
- Hygroscopic
- Major Application
- food and beverages
- InChIKey
- JDCPEKQWFDWQLI-UQKNVTGONA-N
- LogP
- 5.1 · 5.100 (est)
- CAS DataBase Reference
- 11021 · 11021-14-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
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
- 3
- rtecs
- LY9536300
- hs_code
- 29389090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
UsesGinsenoside Rc displays anti-proliferative effects in human breast cancer cell lines.
Additional notes
DefinitionChEBI: Ginsenoside Rc is a ginsenoside found in Panax ginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 3 and 20 have been converted to the corresponding beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside and alpha-L-arabinofuranosyl-(1->6)-beta-D-glucopyranoside respectively, and in which a double bond has been introduced at the 24-25 position. It has a role as a plant metabolite and a hypoglycemic agent. It is a 12beta-hydroxy steroid, a beta-D-glucoside, a disaccharide derivative, a ginsenoside and a tetracyclic triterpenoid. It derives from a hydride of a dammarane.
Related reactions
0 records
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Compound notes
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