(8S,9R,13S,14S,17S)-11-(Aziridin-1-Ylmethyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 76583-06-7]

Identification

• Name: (8S,9R,13S,14S,17S)-11-(Aziridin-1-Ylmethyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: (8S,9R,13S,14S,17S)-11-(1-Aziridinylmethyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3,17-Diol; (8S,9R,13S,14S,17S)-11-(Ethyleniminomethyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3,17-Diol; Org 5895
• Molecular Formula: C₂₁H₂₉NO₂
• Molecular Weight: 327.47
• CAS Registry Number: 76583-06-7
• SMILES: [C@H]13[C@H]5[C@](CC([C@@H]1C2=CC=C(O)C=C2CC3)CN4CC4)([C@@H](O)CC5)C
• InChI: 1S/C21H29NO2/c1-21-11-14(12-22-8-9-22)20-16-5-3-15(23)10-13(16)2-4-17(20)18(21)6-7-19(21)24/h3,5,10,14,17-20,23-24H,2,4,6-9,11-12H2,1H3/t14?,17-,18-,19-,20+,21-/m0/s1
• InChIKey: HEEPORQSZTZTBT-CRBRIEKSSA-N

Properties

• Density: 1.21g/cm³ (Cal.)
• Boiling point: 497.071°C at 760 mmHg (Cal.)
• Flash point: 256.646°C (Cal.)