(1alpha,2beta,4Aalpha,4Bbeta,10beta)-2,7-Dihydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
[CAS# 32780-05-5]

Identification

• Name: (1alpha,2beta,4Aalpha,4Bbeta,10beta)-2,7-Dihydroxy-1-Methyl-8-Methylenegibbane-1,4A,10-Tricarboxylic Acid
• Synonyms: (1S,2S,3S,4S,5S,8R,9R,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; (1S,2S,3S,4S,5S,8R,9R,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; 2β,7α-dihydroxy-1β-methyl-8-methylidene-4aα,4bβ-; (1S,2S,3S,4S,5S,8R,9R,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4,8-tricarboxylic acid; 2β,7α-dihydroxy-1β-methyl-8-methylidene-4aα,4bβ-gibbane-1α,4a,10β-tricarboxylic acid
• Molecular Formula: C₂₀H₂₆O₈
• Molecular Weight: 394.42
• CAS Registry Number: 32780-05-5
• SMILES: O=C(O)[C@@]1([C@@H](O)CC[C@]3(C(=O)O)[C@@H]1[C@H](C(=O)O)[C@]24C[C@](O)(C(=C)\C2)CC[C@@H]34)C
• InChI: 1S/C20H26O8/c1-9-7-18-8-19(9,28)5-3-10(18)20(16(26)27)6-4-11(21)17(2,15(24)25)13(20)12(18)14(22)23/h10-13,21,28H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,12-,13-,17-,18+,19+,20-/m1/s1
• InChIKey: YPZCOEDTKIYBEB-ZVBXRXONSA-N

Properties

• Density: 1.523g/cm³ (Cal.)
• Boiling point: 584.961°C at 760 mmHg (Cal.)
• Flash point: 321.611°C (Cal.)