Calenduladiol
[CAS# 10070-48-1]

Identification

• Name: Calenduladiol
• Synonyms: Nsc133914; Nsc92227
• Molecular Formula: C₃₀H₅₀O₂
• Molecular Weight: 442.72
• CAS Registry Number: 10070-48-1
• SMILES: CC34C2(C(C1(C(C(C(O)CC1)(C)C)CC2)C)CCC3C5C(C(O)C4)(CCC5C(=C)C)C)C
• InChI: 1S/C30H50O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-25,31-32H,1,9-17H2,2-8H3
• InChIKey: AJBZENLMTKDAEK-UHFFFAOYSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 518.141°C at 760 mmHg (Cal.)
• Flash point: 208.711°C (Cal.)