(3S,5S,9R,10S,13R,14R,17R)-4,10,13-Trimethyl-17-[(Z,2R)-5-Propan-2-Ylhept-5-En-2-Yl]-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
[CAS 11040-28-1]

Identification

• Name: (3S,5S,9R,10S,13R,14R,17R)-4,10,13-Trimethyl-17-[(Z,2R)-5-Propan-2-Ylhept-5-En-2-Yl]-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Ol
• Synonyms: (3S,5S,9R,10S,13R,14R,17R)-17-[(Z,1R)-4-Isopropyl-1-Methyl-Hex-4-Enyl]-4,10,13-Trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3S,5S,9R,10S,13R,14R,17R)-17-[(Z,1R)-4-Isopropyl-1-Methylhex-4-Enyl]-4,10,13-Trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol; (3Beta,5Alpha)-4-Methylstigmasta-7,24(28)-Dien-3-Ol
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.72
• CAS Registry Number: 11040-28-1
• EINECS: 234-269-2
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](CC\C(C(C)C)=C\C)C)(CC[C@@H]3[C@@]4([C@@H](CC=C23)C([C@@H](O)CC4)C)C)C
• InChI: 1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3/b22-8-/t20-,21?,24-,25+,26+,27+,28+,29-,30+/m1/s1
• InChIKey: LPZCCMIISIBREI-GUPKAATASA-N

Properties

• Density: 0.984g/cm³ (Cal.)
• Boiling point: 510.834°C at 760 mmHg (Cal.)
• Flash point: 224.595°C (Cal.)