(1R,2R,5S,8S,9S,10S,11S,17S)-5,17-Dihydroxy-11-Methyl-6-Methylene-12-Oxo-13-Oxapentacyclo[9.3.3.1^5,8.0^1,10.0^2,8]Octadecane-9-Carboxylic Acid
[CAS# 36434-14-7]

Identification

• Name: (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-Dihydroxy-11-Methyl-6-Methylene-12-Oxo-13-Oxapentacyclo[9.3.3.1^5,8.0^1,10.0^2,8]Octadecane-9-Carboxylic Acid
• Synonyms: gibberellin A38
• Molecular Formula: C₂₀H₂₆O₆
• Molecular Weight: 362.42
• CAS Registry Number: 36434-14-7
• SMILES: OC(=O)[C@@H]3[C@]51C[C@@](O)(CC[C@H]1[C@]24COC(=O)[C@](C)([C@@H](O)CC2)[C@@H]34)C(\C5)=C
• InChI: 1S/C20H26O6/c1-10-7-19-8-20(10,25)6-3-11(19)18-5-4-12(21)17(2,16(24)26-9-18)14(18)13(19)15(22)23/h11-14,21,25H,1,3-9H2,2H3,(H,22,23)/t11-,12-,13+,14+,17+,18+,19-,20-/m0/s1
• InChIKey: GAQSCLQIDHHPEE-ARCJWRNYSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 625.669°C at 760 mmHg (Cal.)
• Flash point: 226.06°C (Cal.)