(2R,3S,6S,7S,9R,10S,11S,12R,13S,14R)-2,6,9,11,13,14-Hexahydroxy-11-Isopropyl-3,7,10-Trimethyl-15-Oxapentacyclo[7.5.1.0^1,6.0^7,13.0^10,14]Pentadec-12-Yl Nicotinate
[CAS# 137441-82-8]

Identification

• Name: (2R,3S,6S,7S,9R,10S,11S,12R,13S,14R)-2,6,9,11,13,14-Hexahydroxy-11-Isopropyl-3,7,10-Trimethyl-15-Oxapentacyclo[7.5.1.0^1,6.0^7,13.0^10,14]Pentadec-12-Yl Nicotinate
• Synonyms: Ryanodol, 3-(3-pyridinecarboxylate); ryanodyl 3-(pyridine-3-carboxylate); Ryanodyl-3-pdc
• Molecular Formula: C₂₆H₃₅NO₉
• Molecular Weight: 505.56
• CAS Registry Number: 137441-82-8
• SMILES: O=C(O[C@H]3[C@@]1(O)[C@@]4([C@]5(O)C2(O[C@@](O)([C@@]([C@@]12O)(C)[C@@]3(O)C(C)C)C4)[C@H](O)[C@@H](C)CC5)C)c6cccnc6
• InChI: 1S/C26H35NO9/c1-13(2)23(32)18(35-17(29)15-7-6-10-27-11-15)24(33)19(4)12-22(31)20(23,5)26(24,34)25(36-22)16(28)14(3)8-9-21(19,25)30/h6-7,10-11,13-14,16,18,28,30-34H,8-9,12H2,1-5H3/t14-,16+,18+,19-,20-,21-,22+,23+,24+,25?,26+/m0/s1
• InChIKey: BLVJZMYEPDTENS-SMXYELLBSA-N

Properties

• Density: 1.533g/cm³ (Cal.)
• Boiling point: 691.963°C at 760 mmHg (Cal.)
• Flash point: 372.286°C (Cal.)
• Refractive index: 1.678 (Cal.)