(10S,13R,14S,17R)-4,4,10,13-Tetramethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-3-Oxo-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[a]Phenanthrene-14-Carboxylic Acid
[CAS# 145525-33-3]

Identification

• Name: (10S,13R,14S,17R)-4,4,10,13-Tetramethyl-17-[(2R)-6-Methylhept-5-En-2-Yl]-3-Oxo-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[a]Phenanthrene-14-Carboxylic Acid
• Synonyms: (10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhex-4-Enyl]-4,4,10,13-Tetramethyl-3-Oxo-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthrene-14-Carboxylic Acid; (10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhex-4-Enyl]-3-Keto-4,4,10,13-Tetramethyl-1,2,5,6,7,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthrene-14-Carboxylic Acid; 3-Oxolanosta-8,24-Dien-30-Oic Acid
• Molecular Formula: C₃₀H₄₆O₃
• Molecular Weight: 454.69
• CAS Registry Number: 145525-33-3
• SMILES: [C@@]12([C@@]([C@H](CC1)[C@@H](CCC=C(C)C)C)(CCC3=C2CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C(=O)O
• InChI: 1S/C30H46O3/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/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24?,28-,29-,30+/m1/s1
• InChIKey: KRBPNFFLXMZLCT-RRKKILLZSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 557.765°C at 760 mmHg (Cal.)
• Flash point: 305.182°C (Cal.)