Clerodin
[CAS# 464-71-1]

Identification

• Name: Clerodin
• Synonyms: [(1S,3R,4S,4Ar,8R,8Ar)-4-[(2S)-2,3,3A,6A-Tetrahydrofuro[5,4-B]Furan-2-Yl]-8A-(Acetoxymethyl)-3,4-Dimethyl-Spiro[Decalin-8,2'-Oxirane]-1-Yl] Acetate; Acetic Acid [(1S,3R,4S,4Ar,8R,8Ar)-4-[(2S)-2,3,3A,6A-Tetrahydrofuro[5,4-B]Furan-2-Yl]-8A-(Acetoxymethyl)-3,4-Dimethyl-1-Spiro[Decalin-8,2'-Oxirane]Yl] Ester; Acetic Acid [(1S,3R,4S,4Ar,8R,8Ar)-4-[(2S)-2,3,3A,6A-Tetrahydrofuro[5,4-B]Furan-2-Yl]-8A-(Acetoxymethyl)-3,4-Dimethyl-Spiro[Decalin-8,2'-Oxirane]-1-Yl] Ester
• Molecular Formula: C₂₄H₃₄O₇
• Molecular Weight: 434.53
• CAS Registry Number: 464-71-1
• SMILES: [C@@]25([C@]1(OC1)CCC[C@@H]2[C@@]([C@H]3OC4C(C3)C=CO4)([C@@H](C[C@@H]5OC(=O)C)C)C)COC(=O)C
• InChI: 1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17?,18-,19+,20+,21?,22+,23+,24+/m1/s1
• InChIKey: CNIWQELMLPUFOS-OPVWAJEHSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 522.176°C at 760 mmHg (Cal.)
• Flash point: 223.968°C (Cal.)