(1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12,13-Trihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1^5,8.0^1,10.0^2,8]heptadecane-9-carboxylic acid
[CAS# 7044-72-6]

Identification

• Name: (1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12,13-Trihydroxy-11-methyl-6-methylene-16-oxo-15-oxapentacyclo[9.3.2.1^5,8.0^1,10.0^2,8]heptadecane-9-carboxylic acid
• Synonyms: (1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid; (1R,2R,5S,8S,9S,10R,11S,12R,13S)-5,12,13-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid; 2β,3β,7α-trihydroxy-1β-methy; 2β,3β,7α-trihydroxy-1β-methyl-8-methylidene-13-oxo-4a,1α-epoxymethano-4aα,4bβ-gibbane-10β-carboxylic acid
• Molecular Formula: C₁₉H₂₄O₇
• Molecular Weight: 364.39
• CAS Registry Number: 7044-72-6
• SMILES: O=C1O[C@@]32[C@@H]([C@]1([C@@H](O)[C@@H](O)C2)C)[C@H](C(=O)O)[C@]54[C@H]3CC[C@@](O)(C(=C)\C4)C5
• InChI: 1S/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11+,12+,13-,16-,17-,18-,19+/m0/s1
• InChIKey: WZRRJZYYGOOHRC-UQJCXHNCSA-N

Properties

• Density: 1.54g/cm³ (Cal.)
• Boiling point: 637.053°C at 760 mmHg (Cal.)
• Flash point: 232.335°C (Cal.)