Hormonin
[CAS# 79275-73-3]

Identification

• Name: Hormonin
• Synonyms: Hormonin; Estra-1,3,5(10)-Trien-17-One, 3-Hydroxy-, Mixt. With (17Beta)-Estra-1,3,5(10)-Triene-3,17-Diol And (16Alpha,17Beta)-Estra-1,3,5(10)-Triene-3,16,17-Triol
• Molecular Formula: C₅₄H₇₀O₇
• Molecular Weight: 831.14
• CAS Registry Number: 79275-73-3
• SMILES: [C@H]34[C@H]2[C@@H](C1=CC=C(O)C=C1CC2)CC[C@@]3([C@@H](O)[C@H](O)C4)C.[C@H]68[C@H]5[C@@](C(=O)CC5)(CC[C@@H]6C7=CC=C(O)C=C7CC8)C.[C@H]%10%12[C@H]9[C@@]([C@@H](O)CC9)(CC[C@@H]%10C%11=CC=C(O)C=C%11CC%12)C
• InChI: 1S/C18H24O3.C18H24O2.C18H22O2/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;2*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;3,5,10,14-16,19H,2,4,6-9H2,1H3/t13-,14-,15+,16-,17+,18+;14-,15-,16+,17+,18+;14-,15-,16+,18+/m111/s1
• InChIKey: GVYXYMBQFWEWRH-MXEORCBVSA-N

Properties

• Boiling point: 469°C at 760 mmHg (Cal.)
• Flash point: 220.8°C (Cal.)