(2E)-2-Hydroxy-2-[(8S,9S,10R,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Ylidene]Acetaldehyde
[CAS 3247-38-9]

Identification

• Name: (2E)-2-Hydroxy-2-[(8S,9S,10R,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Ylidene]Acetaldehyde
• Synonyms: (2E)-2-Hydroxy-2-[(8S,9S,10R,13S,14S)-11-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]Acetaldehyde; (2E)-2-Hydroxy-2-[(8S,9S,10R,13S,14S)-11-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Ylidene]Ethanal; 11,20-Dopda
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45
• CAS Registry Number: 3247-38-9
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)C(O)C[C@]\4([C@H]3CCC4=C(\O)C=O)C
• InChI: 1S/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,11,14-15,17,19,24-25H,3-8,10H2,1-2H3/b18-16+/t14-,15-,17?,19+,20-,21-/m0/s1
• InChIKey: JVIOAMIJLAYISK-MMCUDECZSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 565.011°C at 760 mmHg (Cal.)
• Flash point: 309.559°C (Cal.)