3-{5-Hydroxy-8-[(3E)-4-{8'-hydroxy-6'-[1-hydroxy-3-(9-methyl-1-oxaspiro[5.5]undec-8-yl)butyl]-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl}-3-buten-2-yl]-10-methyl-1,4,7-trioxaspiro[5.5]undec-10-en-2-yl}-2-methyl-1,2-propanediol
[CAS# 131959-12-1]

Identification

• Name: 3-{5-Hydroxy-8-[(3E)-4-{8'-hydroxy-6'-[1-hydroxy-3-(9-methyl-1-oxaspiro[5.5]undec-8-yl)butyl]-7'-methyleneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl}-3-buten-2-yl]-10-methyl-1,4,7-trioxaspiro[5.5]undec-10-en-2-yl}-2-methyl-1,2-propanediol
• Synonyms: Okadaol; O2257_SIGMA
• Molecular Formula: C₄₄H₇₀O₁₂
• Molecular Weight: 791.02
• CAS Registry Number: 131959-12-1
• SMILES: CC1CCC7(CC1C(C)CC(O)C5OC6CCC2(CCC(O2)/C=C/C(C)C3CC(\C)=C/C4(O3)OC(COC4O)CC(C)(O)CO)OC6C(O)C5=C)CCCCO7
• InChI: 1S/C44H70O12/c1-26-19-36(55-44(21-26)40(48)50-24-32(54-44)22-41(6,49)25-45)28(3)9-10-31-12-16-43(53-31)17-13-35-39(56-43)37(47)30(5)38(52-35)34(46)20-29(4)33-23-42(15-11-27(33)2)14-7-8-18-51-42/h9-10,21,27-29,31-40,45-49H,5,7-8,11-20,22-25H2,1-4,6H3/b10-9+
• InChIKey: UYJJHCRMSRYIAM-MDZDMXLPSA-N

Properties

• Density: 1.253g/cm³ (Cal.)
• Boiling point: 910.504°C at 760 mmHg (Cal.)
• Flash point: 504.455°C (Cal.)
• Refractive index: 1.58 (Cal.)