(10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-2,3,9-Triol
[CAS# 138329-21-2]

Identification

• Name: (10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthrene-2,3,9-Triol
• Synonyms: (10S,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-1,2,3,4,5,6,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthrene-2,3,9-Triol; Ergdtl; Ergosta-7,22-Diene-2,3,9-Triol
• Molecular Formula: C₂₈H₄₆O₃
• Molecular Weight: 430.67
• CAS Registry Number: 138329-21-2
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](\C=C\[C@@H](C(C)C)C)C)(CCC3(O)C2=CCC4[C@@]3(CC(O)C(O)C4)C)C
• InChI: 1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-23-10-9-20-15-24(29)25(30)16-27(20,6)28(23,31)14-13-26(21,22)5/h7-8,10,17-22,24-25,29-31H,9,11-16H2,1-6H3/b8-7+/t18-,19+,20?,21+,22-,24?,25?,26+,27-,28?/m0/s1
• InChIKey: RVWGLBNUTMYAOL-DIUYWSLXSA-N

Properties

• Density: 1.086g/cm³ (Cal.)
• Boiling point: 533.779°C at 760 mmHg (Cal.)
• Flash point: 220.602°C (Cal.)