2-[(4aR,6R)-6-{[5-O-(beta-D-Galactofuranosyl)-beta-D-galactofuranosyl]oxy}-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenyl]-2-propen-1-yl 5-O-beta-D-galactofuranosyl-beta-D-galactofuranoside
[CAS# 86413-81-2]

Identification

• Name: 2-[(4aR,6R)-6-{[5-O-(beta-D-Galactofuranosyl)-beta-D-galactofuranosyl]oxy}-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-2-naphthalenyl]-2-propen-1-yl 5-O-beta-D-galactofuranosyl-beta-D-galactofuranoside
• Synonyms: 2-[(4aR,6R)-6-{[5-O-(β-D-galactofuranosyl)-β-D-galactofuranosyl]oxy}-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]prop-2-en-1-yl 5-O-β-D-galactofuranosyl-β-D-galactofuranoside; Helminthosporoside A
• Molecular Formula: C₃₉H₆₄O₂₂
• Molecular Weight: 884.91
• CAS Registry Number: 86413-81-2
• SMILES: O6[C@@H](O[C@H](CO)[C@@H]5O[C@@H](O[C@@H]4CC(=C3\CC(C(=C)\CO[C@@H]2O[C@@H]([C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O)CO)[C@H](O)[C@H]2O)CC[C@]3(C)C4)\C)[C@H](O)[C@H]5O)[C@H](O)[C@@H](O)[C@@H]6[C@H](O)CO
• InChI: 1S/C39H64O22/c1-14-6-17(55-36-30(53)26(49)34(61-36)22(12-43)57-38-29(52)24(47)32(59-38)20(45)10-41)8-39(3)5-4-16(7-18(14)39)15(2)13-54-35-27(50)25(48)33(60-35)21(11-42)56-37-28(51)23(46)31(58-37)19(44)9-40/h16-17,19-38,40-53H,2,4-13H2,1,3H3/t16?,17-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38-,39-/m1/s1
• InChIKey: USAJESQTSDBMKW-QQCQSHJHSA-N

Properties

• Density: 1.578g/cm³ (Cal.)
• Boiling point: 1138.516°C at 760 mmHg (Cal.)
• Flash point: 642.351°C (Cal.)