Nicocortonide
[CAS# 65415-41-0]

Identification

• Name: Nicocortonide
• Synonyms: 11Beta,21-Dihydroxy-14Alpha,17Alpha-(1-Propenylmethylendioxy)-4-Pregnen-3,20-Dion 21-Isonicotinat; Nicocortonida [Inn-Spanish]
• Molecular Formula: C₃₁H₃₇NO₇
• Molecular Weight: 535.64
• CAS Registry Number: 65415-41-0
• EINECS: 265-754-7
• SMILES: [C@]125OC(O[C@@]([C@]1(C[C@H](O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(CC5)C(=O)COC(=O)C6=CC=NC=C6)\C=C/C
• InChI: 1S/C31H37NO7/c1-4-5-25-38-30-12-13-31(39-25,24(35)18-37-27(36)19-9-14-32-15-10-19)29(30,3)17-23(34)26-22(30)7-6-20-16-21(33)8-11-28(20,26)2/h4-5,9-10,14-16,22-23,25-26,34H,6-8,11-13,17-18H2,1-3H3/b5-4-/t22-,23+,25?,26-,28+,29+,30-,31+/m1/s1
• InChIKey: LZHLAFIPUJPCBN-ZTOAAZPKSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 699.737°C at 760 mmHg (Cal.)
• Flash point: 376.987°C (Cal.)