(20S)-3beta,16alpha,28-Trihydroxyolean-12-En-29-Al
[CAS# 5172-35-0]

Identification

• Name: (20S)-3beta,16alpha,28-Trihydroxyolean-12-En-29-Al
• Synonyms: (2S,4As,5R,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-5,10-Dihydroxy-4A-(Hydroxymethyl)-2,6A,6B,9,9,12A-Hexamethyl-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2-Carboxaldehyde; (2S,4As,5R,6Ar,6As,6Br,8Ar,10S,12Ar,14Bs)-5,10-Dihydroxy-2,6A,6B,9,9,12A-Hexamethyl-4A-Methylol-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2-Carbaldehyde; Cyclamiretin D
• Molecular Formula: C₃₀H₄₈O₄
• Molecular Weight: 472.71
• CAS Registry Number: 5172-35-0
• SMILES: [C@]25(C(=CC[C@@H]3[C@]1(CC[C@@H](C([C@@H]1CC[C@@]23C)(C)C)O)C)[C@@H]4C[C@](C=O)(C)CC[C@@]4([C@@H](C5)O)CO)C
• InChI: 1S/C30H48O4/c1-25(2)21-9-12-28(5)22(27(21,4)11-10-23(25)33)8-7-19-20-15-26(3,17-31)13-14-30(20,18-32)24(34)16-29(19,28)6/h7,17,20-24,32-34H,8-16,18H2,1-6H3/t20-,21-,22+,23-,24+,26-,27-,28+,29+,30+/m0/s1
• InChIKey: QKTVVYNZVLXBAT-TVFWEJSYSA-N

Properties

• Density: 1.145g/cm³ (Cal.)
• Boiling point: 578.18°C at 760 mmHg (Cal.)
• Flash point: 317.515°C (Cal.)