22-NBD Cholesterol

• Synonyms: N-(7-Nitrobenz-2-oxa-1,3-diazole)-23,24-dinor-5-cholen-22-amine-3beta-ol; NBD cholesterol [22-(N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)aMino)-23,24-bisnor-5-cholen-3b-ol]
• IUPAC Name: (3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• Molecular Weight: 494.63
• Molecular Formula: C28H38N4O4
• SMILES: C[C@H](CNC1=CC=C(C2=NON=C12)[N+](=O)[O-])[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C
• InChI: DLWLXTLRGQWGPC-XIWKFBMMSA-N
• InChI Key: InChI=1S/C28H38N4O4/c1-16(15-29-23-8-9-24(32(34)35)26-25(23)30-36-31-26)20-6-7-21-19-5-4-17-14-18(33)10-12-27(17,2)22(19)11-13-28(20,21)3/h4,8-9,16,18-22,29,33H,5-7,10-15H2,1-3H3/t16-,18+,19+,20-,21+,22+,27+,28-/m1/s1
• Boiling Point: 650.5°C at 760 mmHg
• Purity: 98%
• Density: 1.27 g/cm3
• pKa: 15.03±0.70(Predicted)