(1R,5E,7E,17beta)-1-Hydroxy-17-[(2R)-6-hydroxy-6-methyl-2-heptanyl]-9,10-secoestra-5,7-dien-4-one
[CAS# 86852-07-5]

Identification

• Name: (1R,5E,7E,17beta)-1-Hydroxy-17-[(2R)-6-hydroxy-6-methyl-2-heptanyl]-9,10-secoestra-5,7-dien-4-one
• Synonyms: 10-Keto-25-hydroxyvitamin D3; 10-Khvd; 19-Nor-9,10-secocholesta-5,7-dien-4-one, 1,25-dihydroxy-, (1α,5Z,7E)-
• Molecular Formula: C₂₆H₄₂O₃
• Molecular Weight: 402.61
• CAS Registry Number: 86852-07-5
• SMILES: O=C3\C(=C\C=C1/CCC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(O)(C)C)C)C[C@H](O)CC3
• InChI: 1S/C26H42O3/c1-18(7-5-15-25(2,3)29)22-12-13-23-19(8-6-16-26(22,23)4)9-10-20-17-21(27)11-14-24(20)28/h9-10,18,21-23,27,29H,5-8,11-17H2,1-4H3/b19-9+,20-10+/t18-,21-,22-,23+,26-/m1/s1
• InChIKey: WGGXZJFAPUZXLC-NGPZEFBZSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 555.407°C at 760 mmHg (Cal.)
• Flash point: 303.757°C (Cal.)