(8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyacetyl)-13-(Hydroxymethyl)-10-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 35121-42-7]

Identification

• Name: (8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyacetyl)-13-(Hydroxymethyl)-10-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-(Hydroxymethyl)-17-(2-Hydroxy-1-Oxoethyl)-10-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8R,9S,10R,13S,14S,17R)-17-Glycoloyl-17-Hydroxy-10-Methyl-13-Methylol-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-Hydroxyethanoyl)-13-(Hydroxymethyl)-10-Methyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₃₀O₅
• Molecular Weight: 362.47
• CAS Registry Number: 35121-42-7
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](O)(CC4)C(=O)CO)CO
• InChI: 1S/C21H30O5/c1-19-7-4-14(24)10-13(19)2-3-15-16(19)5-8-20(12-23)17(15)6-9-21(20,26)18(25)11-22/h10,15-17,22-23,26H,2-9,11-12H2,1H3/t15-,16+,17+,19+,20-,21+/m1/s1
• InChIKey: TXZGUJHXOGBBMR-OHXCOFTBSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 572.856°C at 760 mmHg (Cal.)
• Flash point: 314.298°C (Cal.)