(14Z)-7-Hydroxy-2A,12alpha-Dimethyl-1,6-Dioxo-2A,4,4A,6,6A,7,9,10,11,12,12A,12B,13,14B-Tetradecahydro-1H-2,3,5-Trioxapentaleno[1',6':5,6,7]Cyclonona[1,2-a]Naphthalen-10-Yl 6-Deoxy-3-O-Methylhexopyranoside
[CAS# 132160-34-0]

Identification

• Name: (14Z)-7-Hydroxy-2A,12alpha-Dimethyl-1,6-Dioxo-2A,4,4A,6,6A,7,9,10,11,12,12A,12B,13,14B-Tetradecahydro-1H-2,3,5-Trioxapentaleno[1',6':5,6,7]Cyclonona[1,2-a]Naphthalen-10-Yl 6-Deoxy-3-O-Methylhexopyranoside
• Synonyms: Neocynaversicoside
• Molecular Formula: C₂₈H₃₈O₁₁
• Molecular Weight: 550.59
• CAS Registry Number: 132160-34-0
• SMILES: O=C\1OC3(OCC2OC(=O)C4C(C/C=C/1C23)C6(C(=C/C4O)\CC(OC5OC(C)C(O)C(OC)C5O)CC6)C)C
• InChI: 1S/C28H38O11/c1-12-21(30)23(34-4)22(31)26(36-12)37-14-7-8-27(2)13(9-14)10-17(29)19-16(27)6-5-15-20-18(38-25(19)33)11-35-28(20,3)39-24(15)32/h5,10,12,14,16-23,26,29-31H,6-9,11H2,1-4H3/b15-5-
• InChIKey: XXMPRKCDSVYBRO-WCSRMQSCSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 815.282°C at 760 mmHg (Cal.)
• Flash point: 270.077°C (Cal.)
• Refractive index: 1.603 (Cal.)