1-(Acetyloxy)-1,4-Deepoxy-19-Deoxy-O17-beta-D-Glucopyranosyl-4-Hydroxy-Limonoic Acid epsilon-Lactone
[CAS# 141304-77-0]

Identification

• Name: 1-(Acetyloxy)-1,4-Deepoxy-19-Deoxy-O17-beta-D-Glucopyranosyl-4-Hydroxy-Limonoic Acid epsilon-Lactone
• Synonyms: Nomilin 17-O-Beta-D-Glucopyranoside; Nomilin Glucoside; Spiro(Naphth(2,1-C)Oxepin-8(5H),2'-Oxirane)-3'-Carboxylic Acid, 1-(Acetyloxy)-9-((S)-3-Furanyl(Beta-D-Glucopyranosyloxy)Methyl)Dodecahydro-5,5,7A,9,11B-Pentamethyl-3,7-Dioxo-, (1R,2'R,3R,5Ar,7Ar,9S,11Ar,11Br)-
• Molecular Formula: C₃₄H₄₆O₁₅
• Molecular Weight: 694.73
• CAS Registry Number: 141304-77-0
• SMILES: [C@@]23(C1(O[C@H]1C(=O)O)[C@@](CC[C@@H]2[C@@]4([C@@H](CC3=O)C(OC(=O)C[C@H]4OC(=O)C)(C)C)C)(C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)C6=COC=C6)C)C
• InChI: 1S/C34H46O15/c1-15(36)45-21-12-22(38)48-30(2,3)19-11-20(37)33(6)18(32(19,21)5)7-9-31(4,34(33)27(49-34)28(42)43)26(16-8-10-44-14-16)47-29-25(41)24(40)23(39)17(13-35)46-29/h8,10,14,17-19,21,23-27,29,35,39-41H,7,9,11-13H2,1-6H3,(H,42,43)/t17-,18-,19+,21-,23-,24+,25-,26?,27+,29+,31+,32-,33+,34?/m1/s1
• InChIKey: GIVMXHQLQAIYEX-OJVPXVCRSA-N

Properties

• Density: 1.456g/cm³ (Cal.)
• Boiling point: 851.765°C at 760 mmHg (Cal.)
• Flash point: 468.931°C (Cal.)