3-[2-[2-[6-[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,5,8a-Trimethyl-2-Methylidene-Decalin-1-Yl]Ethyl]-1,3-Dimethyl-6-Prop-1-En-2-Yl-1-Cyclohex-3-Enyl]Propanoic Acid
[CAS# 82537-86-8]

Identification

• Name: 3-[2-[2-[6-[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-5,5,8a-Trimethyl-2-Methylidene-Decalin-1-Yl]Ethyl]-1,3-Dimethyl-6-Prop-1-En-2-Yl-1-Cyclohex-3-Enyl]Propanoic Acid
• Synonyms: 3-[2-[2-[6-[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-5,5,8A-Trimethyl-2-Methylene-Decalin-1-Yl]Ethyl]-6-Isopropenyl-1,3-Dimethyl-1-Cyclohex-3-Enyl]Propanoic Acid; 3-[2-[2-[6-[[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-5,5,8A-Trimethyl-2-Methylene-1-Decalinyl]Ethyl]-6-Isopropenyl-1,3-Dimethyl-1-Cyclohex-3-Enyl]Propanoic Acid; 3-[2-[2-[6-(3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-5,5,8A-Trimethyl-2-Methylene-Decalin-1-Yl]Ethyl]-6-Isopropenyl-1,3-Dimethyl-1-Cyclohex-3-Enyl]Propionic Acid
• Molecular Formula: C₃₈H₆₁NO₈
• Molecular Weight: 659.90
• CAS Registry Number: 82537-86-8
• SMILES: C(C4(C(CCC2C1(CCC(C(C1CCC2=C)(C)C)OC3C(C(C(C(CO)O3)O)O)NC(=O)C)C)C(=CCC4C(=C)C)C)C)CC(=O)O
• InChI: 1S/C38H61NO8/c1-21(2)25-12-10-22(3)26(37(25,8)19-17-31(42)43)13-14-27-23(4)11-15-29-36(6,7)30(16-18-38(27,29)9)47-35-32(39-24(5)41)34(45)33(44)28(20-40)46-35/h10,25-30,32-35,40,44-45H,1,4,11-20H2,2-3,5-9H3,(H,39,41)(H,42,43)
• InChIKey: DPUBTAIUQYXFDA-UHFFFAOYSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 799.002°C at 760 mmHg (Cal.)
• Flash point: 437.021°C (Cal.)