(5beta,9beta,10alpha,12alpha,16beta)-9,12,13,16-Tetrahydroxy-11-Oxokauran-17-Al
[CAS# 57743-92-7]

Identification

• Name: (5beta,9beta,10alpha,12alpha,16beta)-9,12,13,16-Tetrahydroxy-11-Oxokauran-17-Al
• Synonyms: 11-Oxo-9,12-α,13,17-tetrahydroxykauran-17(S)-al; Kauran-17-al, 9, 12,13,16-tetrahydroxy-11-oxo-, (12-α)-
• Molecular Formula: C₂₀H₃₀O₆
• Molecular Weight: 366.45
• CAS Registry Number: 57743-92-7
• SMILES: O=C[C@]2(O)[C@@]1(O)[C@@H](O)C(=O)[C@]3(O)C(C1)(C2)CC[C@H]4[C@@]3(C)CCCC4(C)C
• InChI: 1S/C20H30O6/c1-15(2)6-4-7-16(3)12(15)5-8-17-9-18(24,11-21)19(25,10-17)13(22)14(23)20(16,17)26/h11-13,22,24-26H,4-10H2,1-3H3/t12-,13+,16-,17?,18+,19+,20-/m1/s1
• InChIKey: YRNWJHCNUMMHJM-NWNIPPRCSA-N

Properties

• Density: 1.36g/cm³ (Cal.)
• Boiling point: 556.396°C at 760 mmHg (Cal.)
• Flash point: 304.355°C (Cal.)