Smenospongine
[CAS# 113021-53-7]

Identification

• Name: Smenospongine
• Synonyms: 3-[[(1R,2S,4As,8As)-1,2,4A-Trimethyl-5-Methylene-Decalin-1-Yl]Methyl]-5-Amino-4-Hydroxy-1,2-Benzoquinone; 3-[[(1R,2S,4As,8As)-1,2,4A-Trimethyl-5-Methylene-1-Decalinyl]Methyl]-5-Amino-4-Hydroxy-1,2-Benzoquinone; 3-[[(1R,2S,4As,8As)-1,2,4A-Trimethyl-5-Methylene-Decalin-1-Yl]Methyl]-5-Amino-4-Hydroxy-O-Benzoquinone
• Molecular Formula: C₂₁H₂₉NO₃
• Molecular Weight: 343.47
• CAS Registry Number: 113021-53-7
• SMILES: [C@H]12[C@@]([C@H](CC[C@@]1(C(CCC2)=C)C)C)(CC3=C(O)C(=CC(=O)C3=O)N)C
• InChI: 1S/C21H29NO3/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,24H,1,5-9,11,22H2,2-4H3/t13-,17+,20+,21+/m0/s1
• InChIKey: OBQPWRJUZHGREQ-NUATZEMDSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 412.097°C at 760 mmHg (Cal.)
• Flash point: 203.029°C (Cal.)