(3S,10S,13R,14S,17R)-3-Hydroxy-4,4,10,13-Tetramethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-14-Carboxylic Acid
[CAS# 116424-94-3]

Identification

• Name: (3S,10S,13R,14S,17R)-3-Hydroxy-4,4,10,13-Tetramethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[a]Phenanthrene-14-Carboxylic Acid
• Synonyms: (3S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhex-4-Enyl]-3-Hydroxy-4,4,10,13-Tetramethyl-2,3,5,6,7,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-14-Carboxylic Acid; (3Beta)-3-Hydroxylanosta-8,24-Dien-30-Oic Acid; Lanosta-8,24-Dien-30-Oic Acid, 3-Hydroxy-, (3Beta)-
• Molecular Formula: C₃₀H₄₈O₃
• Molecular Weight: 456.71
• CAS Registry Number: 116424-94-3
• SMILES: [C@@]12([C@@]([C@H](CC1)[C@@H](CCC=C(C)C)C)(CCC3=C2CCC4[C@@]3(CC[C@H](O)C4(C)C)C)C)C(=O)O
• InChI: 1S/C30H48O3/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/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24?,25+,28-,29-,30+/m1/s1
• InChIKey: HVQPUBROUXVNPN-KHXUTHGGSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 559.601°C at 760 mmHg (Cal.)
• Flash point: 306.291°C (Cal.)