(4R,4aR,6S,7S,7aS)-6-Hydroxy-7-(hydroxymethyl)-4-methylhexahydrocyclopenta[c]pyran-1(3H)-one
[CAS# 767340-95-4]

Identification

• Name: (4R,4aR,6S,7S,7aS)-6-Hydroxy-7-(hydroxymethyl)-4-methylhexahydrocyclopenta[c]pyran-1(3H)-one
• Synonyms: (4R,4aR,6S,7S,7aS)-6-hydroxy-7-(hydroxymethyl)-4-methylhexahydrocyclopenta[c]pyran-1(3H)-one; Iridolactone
• Molecular Formula: C₁₀H₁₆O₄
• Molecular Weight: 200.23
• CAS Registry Number: 767340-95-4
• SMILES: O=C1OC[C@H](C)[C@H]2C[C@H](O)[C@H](CO)[C@@H]12
• InChI: 1S/C10H16O4/c1-5-4-14-10(13)9-6(5)2-8(12)7(9)3-11/h5-9,11-12H,2-4H2,1H3/t5-,6+,7-,8-,9-/m0/s1
• InChIKey: STSJHYHSVQPPEC-BGKGJTHRSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 410.933°C at 760 mmHg (Cal.)
• Flash point: 165.969°C (Cal.)
• Refractive index: 1.512 (Cal.)

References

• (1): S. Khera, M. D. Carducci, J.-Q. Gu and B. N. Timmermann. (4R,4aR,6S,7S,7aS)-6-Hydroxy-7-hydroxymethyl-4-methylperhydrocyclopenta[c]pyran-1-one chloroform solvate from Valeriana laxiflora, Acta Cryst. (2004). C60, o773-o775