(1alpha,2beta,4Aalpha,4Bbeta,6alpha,10beta)-2,6-Dihydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
[CAS# 57672-81-8]

Identification

• Name: (1alpha,2beta,4Aalpha,4Bbeta,6alpha,10beta)-2,6-Dihydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
• Synonyms: gibberellin A39
• Molecular Formula: C₂₀H₂₆O₈
• Molecular Weight: 394.42
• CAS Registry Number: 57672-81-8
• SMILES: OC(=O)[C@]24CC[C@H](O)[C@@](C)(C(O)=O)[C@H]4[C@H](C(O)=O)[C@]31C[C@@H]([C@@H](O)C[C@H]12)C(=C)C3
• InChI: 1S/C20H26O8/c1-8-6-19-7-9(8)10(21)5-11(19)20(17(27)28)4-3-12(22)18(2,16(25)26)14(20)13(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)/t9-,10+,11-,12+,13-,14-,18-,19+,20-/m1/s1
• InChIKey: LKLDZCIWUDJQCF-OZPHONOWSA-N

Properties

• Density: 1.518g/cm³ (Cal.)
• Boiling point: 589.953°C at 760 mmHg (Cal.)
• Flash point: 324.627°C (Cal.)