(4aR,4bS,6aR,6bR,7S,11aS,11bR)-6A-Formyl-9-Hydroxy-4A,7-Dimethyl-8-(2-Methyl-1-Propen-1-Yl)-1,2,3,4,4A,4B,5,6,6A,6B,7,8,9,10A,11,11A,11B,12-Octadecahydronaphtho[2',1':4,5]Indeno[2,1-b]Pyran-2-Yl 2-O-[ 6-Deoxy-4-O-(4-Hydroxybenzoyl)-D-Mannopyranosyl]-D-Glucopyranoside
[CAS# 153005-22-2]

Identification

• Name: (4aR,4bS,6aR,6bR,7S,11aS,11bR)-6A-Formyl-9-Hydroxy-4A,7-Dimethyl-8-(2-Methyl-1-Propen-1-Yl)-1,2,3,4,4A,4B,5,6,6A,6B,7,8,9,10A,11,11A,11B,12-Octadecahydronaphtho[2',1':4,5]Indeno[2,1-b]Pyran-2-Yl 2-O-[ 6-Deoxy-4-O-(4-Hydroxybenzoyl)-D-Mannopyranosyl]-D-Glucopyranoside
• Synonyms: 3-((2-O-(6-deoxy-4-O-(4-hydroxybenzoyl)mannopyranosyl)glucopyranosyl)oxy)-16,23-epoxy-23-hydroxy-22-(2-methyl-1-propenyl)-24-norchol-5-en-18-al
• Molecular Formula: C₄₆H₆₄O₁₅
• Molecular Weight: 856.99
• CAS Registry Number: 153005-22-2
• SMILES: Oc1ccc(cc1)C(=O)O[C@H]2[C@H](O)[C@H](O)C(O[C@@H]2C)O[C@@H]8[C@@H](O)[C@H](O)[C@@H](CO)OC8OC5C\C6=C\C[C@H]4[C@@H]7CC3OC(O)C(\C=C(/C)C)[C@@H](C)[C@@H]3[C@@]7(C=O)CC[C@@H]4[C@@]6(C)CC5
• InChI: 1S/C46H64O15/c1-21(2)16-29-22(3)34-32(58-42(29)55)18-31-28-11-8-25-17-27(12-14-45(25,5)30(28)13-15-46(31,34)20-48)57-44-40(36(51)35(50)33(19-47)59-44)61-43-38(53)37(52)39(23(4)56-43)60-41(54)24-6-9-26(49)10-7-24/h6-10,16,20,22-23,27-40,42-44,47,49-53,55H,11-15,17-19H2,1-5H3/t22-,23-,27?,28-,29?,30+,31+,32?,33-,34+,35-,36+,37-,38+,39-,40-,42?,43?,44?,45+,46-/m1/s1
• InChIKey: DBISGXLGRVQZTK-RHSNJVFVSA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 969.556°C at 760 mmHg (Cal.)
• Flash point: 282.952°C (Cal.)
• Refractive index: 1.629 (Cal.)