3beta-Hydroxy-16,28-secosolanida-5,22(28)-dien-24-one
[CAS# 986-45-8]

Identification

• Name: 3beta-Hydroxy-16,28-secosolanida-5,22(28)-dien-24-one
• Synonyms: 2-(3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)-1-(4-Methyl-1-Pyrrolin-2-Yl)Propan-1-One; Pregn-5-En-21-One, 21-(4,5-Dihydro-4-Methyl-3H-Pyrrol-2-Yl)-3-Hydroxy-20-Methyl-, [3.Beta.,20S,21(R)]-; Tomati
• Molecular Formula: C₂₇H₄₁NO₂
• Molecular Weight: 411.63
• CAS Registry Number: 986-45-8
• SMILES: CC24C(C1CC=C3C(C1CC2)(CCC(O)C3)C)CCC4C(C(C5=NCC(C5)C)=O)C
• InChI: 1S/C27H41NO2/c1-16-13-24(28-15-16)25(30)17(2)21-7-8-22-20-6-5-18-14-19(29)9-11-26(18,3)23(20)10-12-27(21,22)4/h5,16-17,19-23,29H,6-15H2,1-4H3
• InChIKey: HIBLNBRXFIYJIP-UHFFFAOYSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 540.611°C at 760 mmHg (Cal.)
• Flash point: 280.752°C (Cal.)