7'-Deoxo-7'-[(1R)-1-Hydroxyethyl]-(7'R)-Verrucarin A
[CAS# 14729-29-4]

Identification

• Name: 7'-Deoxo-7'-[(1R)-1-Hydroxyethyl]-(7'R)-Verrucarin A
• Synonyms: Roridin A
• Molecular Formula: C₂₉H₄₀O₉
• Molecular Weight: 532.63
• CAS Registry Number: 14729-29-4
• EINECS: 238-783-8
• SMILES: [C@@]24([C@]1(OC1)[C@@H]5O[C@H]3[C@@]2(CCC(=C3)C)COC(=O)[C@@H](O)[C@@H](CCO[C@H](/C=C\C=C/C(O[C@@H]4C5)=O)[C@H](O)C)C)C
• InChI: 1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5-,8-6-/t18-,19-,20-,21-,22-,23-,25+,27-,28-,29-/m1/s1
• InChIKey: NSFWWJIQIKBZMJ-GRQSARHWSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 752.448°C at 760 mmHg (Cal.)
• Flash point: 245.978°C (Cal.)