(3S,5R,9R,10R,13R,14S,17R)-3-Hydroxy-4,4,10,13-Tetramethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,5,6,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-14-Carboxylic Acid
[CAS# 133621-76-8]

Identification

• Name: (3S,5R,9R,10R,13R,14S,17R)-3-Hydroxy-4,4,10,13-Tetramethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,5,6,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-14-Carboxylic Acid
• Synonyms: (3S,5R,9R,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-3-Hydroxy-4,4,10,13-Tetramethyl-2,3,5,6,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-14-Carboxylic Acid; (3Beta)-3-Hydroxylanost-7-En-30-Oic Acid; 3-Hleoa
• Molecular Formula: C₃₀H₅₀O₃
• Molecular Weight: 458.72
• CAS Registry Number: 133621-76-8
• SMILES: [C@@]13([C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@@H]4[C@@]2([C@H](C([C@@H](O)CC2)(C)C)CC=C34)C)C)C(=O)O
• InChI: 1S/C30H50O3/c1-19(2)9-8-10-20(3)21-14-18-30(26(32)33)23-11-12-24-27(4,5)25(31)15-16-28(24,6)22(23)13-17-29(21,30)7/h11,19-22,24-25,31H,8-10,12-18H2,1-7H3,(H,32,33)/t20-,21-,22+,24+,25+,28-,29-,30+/m1/s1
• InChIKey: HZKRHXFXUMNSAP-MUDSEZHOSA-N

Properties

• Density: 1.057g/cm³ (Cal.)
• Boiling point: 556.253°C at 760 mmHg (Cal.)
• Flash point: 304.269°C (Cal.)