Estrofen
[CAS# 65296-29-9]

Identification

• Name: Estrofen
• Synonyms: Estra-1,3,5(10)-Triene-3,16,17-Triol, (16Alpha,17Beta)-, Mixt. With (17Beta)-Estra-1,3,5(10)-Triene-3,17-Diol; Estrofem; Estrofen
• Molecular Formula: C₃₆H₄₈O₅
• Molecular Weight: 560.77
• CAS Registry Number: 65296-29-9
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(O)C=C2)CC[C@@]3([C@@H](O)[C@H](O)C4)C.[C@H]67[C@H]5[C@@]([C@@H](O)CC5)(CC[C@@H]6C8=C(CC7)C=C(O)C=C8)C
• InChI: 1S/C18H24O3.C18H24O2/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t13-,14-,15+,16-,17+,18+;14-,15-,16+,17+,18+/m11/s1
• InChIKey: YUSCRGFYKCAQHE-HQFNMCNFSA-N

Properties

• Boiling point: 469°C at 760 mmHg (Cal.)
• Flash point: 220.9°C (Cal.)