1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-Dihydroxy-16-Iodo-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]Ethanone
[CAS# 17975-91-6]

Identification

• Name: 1-[(3S,8R,9S,10R,13S,14S,16S,17R)-3,17-Dihydroxy-16-Iodo-10,13-Dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Yl]Ethanone
• Synonyms: Nsc45883
• Molecular Formula: C₂₁H₃₁IO₃
• Molecular Weight: 458.38
• CAS Registry Number: 17975-91-6
• SMILES: [C@@]2([C@]1(CC[C@H]3[C@H]([C@@H]1C[C@@H]2I)CC=C4[C@]3(C)CC[C@@H](C4)O)C)(C(C)=O)O
• InChI: 1S/C21H31IO3/c1-12(23)21(25)18(22)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,24-25H,5-11H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21+/m0/s1
• InChIKey: ZTVMVESCHJHODJ-OCHQKFOUSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 536.085°C at 760 mmHg (Cal.)
• Flash point: 278.014°C (Cal.)