3b-Hydroxy-5b-pregn-16-en-20-one acetate
[CAS# 2601-07-2]

Identification

• Name: 3b-Hydroxy-5b-pregn-16-en-20-one acetate
• Synonyms: Acetic Acid (17-Acetyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl) Ester; (17-Ethanoyl-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl) Ethanoate; 3.Beta.-Acetoxy-16-Allopregnene-20-One
• Molecular Formula: C₂₃H₃₄O₃
• Molecular Weight: 358.52
• CAS Registry Number: 2601-07-2
• EINECS: 220-004-8
• SMILES: CC34C(C2C(C1(C(CC(OC(C)=O)CC1)CC2)C)CC3)CC=C4C(C)=O
• InChI: 1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,16-18,20-21H,5-6,8-13H2,1-4H3
• InChIKey: YFMSIVMSEGIVCP-UHFFFAOYSA-N

Properties

• Density: 1.093g/cm³ (Cal.)
• Boiling point: 454.705°C at 760 mmHg (Cal.)
• Flash point: 195.075°C (Cal.)