Spongiatriol
[CAS# 71302-27-7]

Identification

• Name: Spongiatriol
• Synonyms: (3Bs,5Ar,6S,7S,9Ar,9Br)-7-Hydroxy-3B,6-Bis(Hydroxymethyl)-6,9A-Dimethyl-4,5,5A,7,9,9B,10,11-Octahydronaphtho[8,7-G]Isobenzofuran-8-One; (3Bs,5Ar,6S,7S,9Ar,9Br)-7-Hydroxy-6,9A-Dimethyl-3B,6-Dimethylol-4,5,5A,7,9,9B,10,11-Octahydronaphtho[8,7-G]Isobenzofuran-8-One; 18-Nor-16-Oxaandrosta-13(17),14-Dien-2-One, 3-Hydroxy-4,8-Bis(Hydroxymethyl)-4-Methyl-, (3Alpha,4Beta,5Alpha)-
• Molecular Formula: C₂₀H₂₈O₅
• Molecular Weight: 348.44
• CAS Registry Number: 71302-27-7
• SMILES: [C@]12([C@H]([C@](CO)(C)[C@@H](C(C1)=O)O)CC[C@@]3([C@@H]2CCC4=COC=C34)CO)C
• InChI: 1S/C20H28O5/c1-18-7-14(23)17(24)19(2,10-21)15(18)5-6-20(11-22)13-9-25-8-12(13)3-4-16(18)20/h8-9,15-17,21-22,24H,3-7,10-11H2,1-2H3/t15-,16-,17-,18+,19-,20-/m1/s1
• InChIKey: MCWBEUKGVFWARY-IGOIZDSHSA-N

Properties

• Density: 1.237g/cm³ (Cal.)
• Boiling point: 522.759°C at 760 mmHg (Cal.)
• Flash point: 269.955°C (Cal.)