(17R)-4',5'-Dihydrospiro[Estr-4-Ene-17,2'(3'H)-Furan]-3-One
[CAS# 1235-13-8]

Identification

• Name: (17R)-4',5'-Dihydrospiro[Estr-4-Ene-17,2'(3'H)-Furan]-3-One
• Synonyms: (8R,9S,10R,13S,14S,17R)-13-Methylspiro[1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-17,2'-Tetrahydrofuran]-3-One; (8R,9S,10R,13S,14S,17R)-13-Methyl-3-Spiro[1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthrene-17,2'-Tetrahydrofuran]One; Spiro(Estr-4-Ene-17,2'(3'H)-Furan)-3-One, 4',5'-Dihydro-, (17Beta)-
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.47
• CAS Registry Number: 1235-13-8
• SMILES: [C@H]35[C@H]2[C@@H]([C@@H]1C(=CC(=O)CC1)CC2)CC[C@@]3([C@@]4(OCCC4)CC5)C
• InChI: 1S/C21H30O2/c1-20-10-7-17-16-6-4-15(22)13-14(16)3-5-18(17)19(20)8-11-21(20)9-2-12-23-21/h13,16-19H,2-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
• InChIKey: UVAQHLGVSKJLTI-XUDSTZEESA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 465.662°C at 760 mmHg (Cal.)
• Flash point: 196.624°C (Cal.)