Unii-qvg5S7bce6

Base Information

• Chemical Name: Unii-qvg5S7bce6
• CAS No.: 480-86-4
• Molecular Formula: C16H25NO5
• Molecular Weight: 311.3734
• UNII: QVG5S7BCE6
• DSSTox Substance ID: DTXSID60963985
• Wikidata: Q27887093
• Mol file: 480-86-4.mol

Synonyms:UNII-QVG5S7BCE6;QVG5S7BCE6;480-86-4;(4R,5S,6R,8aR,8a1R,13aR)-4-hydroxy-4,5,6-trimethyldecahydro-3H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-3,7(4H)-dione;RETUSIN (ALKALOID);DTXSID60963985;Q27887093;(1R,4R,5S,6R,10R,16R)-6-hydroxy-4,5,6-trimethyl-2,8-dioxa-13-azatricyclo[8.5.1.013,16]hexadecane-3,7-dione;(3R,4S,5R,8AR,13AR,13BR)-DECAHYDRO-5-HYDROXY-3,4,5-TRIMETHYL-2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE;20-NORCROTALANAN-11,15-DIONE, 1,2,14,19-TETRAHYDRO-12-HYDROXY-, (1.BETA.,13.ALPHA.,14.ALPHA.)-;20-Norcrotalanan-11,15-dione, 1,2,14,19-tetrahydro-12-hydroxy-, (1beta,13alpha,14alpha)-;2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, 4,5,8,8A,9,10,12,13,13A,13B-DECAHYDRO-5-HYDROXY-3,4,5-TRIMETHYL-, (3R-(3R*,4S*,5R*,8AR*,13AR*,13BR*))-;2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, DECAHYDRO-5-HYDROXY-3,4,5-TRIMETHYL-, (3R,4S,5R,8AR,13AR,13BR)-;5-Hydroxy-3,4,5-trimethyldecahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione

Chemical Property of Unii-qvg5S7bce6

Chemical Property:

• Vapor Pressure: 2.28E-12mmHg at 25°C
• Boiling Point: 506.3°Cat760mmHg
• Flash Point: 260°C
• PSA: 76.07000
• Density: 1.24g/cm³
• LogP: 0.51030
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 311.17327290
• Heavy Atom Count: 22
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

Retusine ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C
• Isomeric SMILES: C[C@@H]1[C@@H]([C@@](C(=O)OC[C@@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C