(10S,13R,14R,17R)-17-[(E,2R)-5,6-Dimethylhept-3-En-2-Yl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-7-One
[CAS# 121714-75-8]

Identification

• Name: (10S,13R,14R,17R)-17-[(E,2R)-5,6-Dimethylhept-3-En-2-Yl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-7-One
• Synonyms: (10S,13R,14R,17R)-3-Hydroxy-10,13-Dimethyl-17-[(E,1R)-1,4,5-Trimethylhex-2-Enyl]-1,2,3,4,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-7-One; 3-Hydroxy-24-Methylcholesta-5,8,22-Trien-7-One; Ergosta-5,8,22-Trien-7-One, 3-Hydroxy-, (3Beta,22E,24Xi)-
• Molecular Formula: C₂₈H₄₂O₂
• Molecular Weight: 410.64
• CAS Registry Number: 121714-75-8
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](\C=C\C(C(C)C)C)C)(CCC3=C2C(=O)C=C4[C@@]3(CCC(O)C4)C)C
• InChI: 1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+/t18?,19-,21?,22-,23+,27+,28-/m1/s1
• InChIKey: UOHNARRKDSHFLD-WNLIGAPNSA-N

Properties

• Density: 1.053g/cm³ (Cal.)
• Boiling point: 535.167°C at 760 mmHg (Cal.)
• Flash point: 225.694°C (Cal.)