Papulacandins
[CAS# 61036-45-1]

Identification

• Name: Papulacandins
• Synonyms: [(3'R,4'S,5'R,6'R)-3',4,5',6-Tetrahydroxy-6'-(Hydroxymethyl)Spiro[1H-Isobenzofuran-3,2'-Tetrahydropyran]-4'-Yl] (2E,4E,8E,10E)-7-Hydroxy-8,14-Dimethyl-Hexadeca-2,4,8,10-Tetraenoate; (2E,4E,8E,10E)-7-Hydroxy-8,14-Dimethylhexadeca-2,4,8,10-Tetraenoic Acid [(3'R,4'S,5'R,6'R)-3',4,5',6-Tetrahydroxy-6'-(Hydroxymethyl)-4'-Spiro[1H-Isobenzofuran-3,2'-Tetrahydropyran]Yl] Ester; (2E,4E,8E,10E)-7-Hydroxy-8,14-Dimethyl-Hexadeca-2,4,8,10-Tetraenoic Acid [(3'R,4'S,5'R,6'R)-3',4,5',6-Tetrahydroxy-6'-Methylol-Spiro[1H-Isobenzofuran-3,2'-Tetrahydropyran]-4'-Yl] Ester
• Molecular Formula: C₃₁H₄₂O₁₀
• Molecular Weight: 574.67
• CAS Registry Number: 61036-45-1
• SMILES: [C@H]1(O)C2(O[C@@H]([C@@H](O)[C@@H]1OC(=O)\C=C\C=C\CC(O)C(=C/C=C/CCC(CC)C)/C)CO)OCC3=C2C(=CC(=C3)O)O
• InChI: 1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5+,9-6+,14-10+,20-12+/t19?,23?,25-,28-,29+,30-,31?/m1/s1
• InChIKey: XKSZJTQIZHUMGA-KDCKXVQZSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 825.457°C at 760 mmHg (Cal.)
• Flash point: 264.324°C (Cal.)