Cholesta-5,7-Diene-1 alpha,3 beta-Diol
[CAS# 43217-89-6]

Identification

• Name: Cholesta-5,7-Diene-1 alpha,3 beta-Diol
• Synonyms: (1S,3R,9S,10R,13R,14R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthrene-1,3-Diol; Cdabd; Cholesta-5,7-Diene-1,3-Diol, (1Alpha,3Beta)-
• Molecular Formula: C₂₇H₄₄O₂
• Molecular Weight: 400.64
• CAS Registry Number: 43217-89-6
• SMILES: [C@H]12[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@H]3C2=CC=C4[C@@]3([C@@H](O)C[C@H](O)C4)C)C
• InChI: 1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h9-10,17-18,20,22-25,28-29H,6-8,11-16H2,1-5H3/t18-,20-,22-,23+,24+,25+,26-,27+/m1/s1
• InChIKey: PJEIBQWLLDBCCO-FDUUVPPLSA-N

Properties

• Density: 1.049g/cm³ (Cal.)
• Boiling point: 527.974°C at 760 mmHg (Cal.)
• Flash point: 222.33°C (Cal.)

References

• (1): Shinichiro Fuse, Yuto Mifune, Nobutake Tanabe and Takashi Takahashi. Continuous-flow synthesis of activated vitamin D and its analogues, Org. Biomol. Chem., 2012, 10, 5205.