(8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-Decahydrospiro[Cyclopenta[a]Phenanthrene-17,2'-[1,3]Dioxolan]-3(6H)-One
[CAS# 2398-63-2]

Identification

• Name: (8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-Decahydrospiro[Cyclopenta[a]Phenanthrene-17,2'-[1,3]Dioxolan]-3(6H)-One
• Synonyms: 1,4-Androstadien-3,17-dione17-ethyleneketal; ZINC03881631
• Molecular Formula: C₂₁H₂₈O₃
• Molecular Weight: 328.45
• CAS Registry Number: 2398-63-2
• SMILES: O=C\1\C=C/[C@]2(/C(=C/1)CC[C@@H]3[C@@H]2CC[C@]5([C@H]3CCC45OCCO4)C)C
• InChI: 1S/C21H28O3/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h5,8,13,16-18H,3-4,6-7,9-12H2,1-2H3/t16-,17+,18+,19+,20+/m1/s1
• InChIKey: AOYBIWCQSGSYJF-DEPCRRQNSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 466.129°C at 760 mmHg (Cal.)
• Flash point: 227.787°C (Cal.)
• Refractive index: 1.576 (Cal.)