(4S,6R,7R)-7-[(1S)-1,2-Dihydroxyethyl]-6-Hydroxy-4-(4-Hydroxyphenyl)-1,8-Dioxaspiro[4.4]Nonane-2,9-Dione
[CAS# 30358-74-8]

Identification

• Name: (4S,6R,7R)-7-[(1S)-1,2-Dihydroxyethyl]-6-Hydroxy-4-(4-Hydroxyphenyl)-1,8-Dioxaspiro[4.4]Nonane-2,9-Dione
• Synonyms: (4S,6R,7R)-7-[(1S)-1,2-Dihydroxyethyl]-6-Hydroxy-4-(4-Hydroxyphenyl)-1,8-Dioxaspiro[4.4]Nonane-2,9-Quinone; Conocarpan
• Molecular Formula: C₁₅H₁₆O₈
• Molecular Weight: 324.29
• CAS Registry Number: 30358-74-8
• SMILES: [C@@H]3(OC(C1(OC(C[C@H]1C2=CC=C(C=C2)O)=O)[C@@H]3O)=O)[C@H](CO)O
• InChI: 1S/C15H16O8/c16-6-10(18)12-13(20)15(14(21)22-12)9(5-11(19)23-15)7-1-3-8(17)4-2-7/h1-4,9-10,12-13,16-18,20H,5-6H2/t9-,10-,12+,13+,15?/m0/s1
• InChIKey: JVCLQSJXGOABTC-IPNWIPTBSA-N

Properties

• Density: 1.632g/cm³ (Cal.)
• Boiling point: 747.73°C at 760 mmHg (Cal.)
• Flash point: 282.678°C (Cal.)