[(8R,9S,13S,14S,16R,17R)-3-Hexanoyloxy-16-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Hexanoate
[CAS# 104202-96-2]

Identification

• Name: [(8R,9S,13S,14S,16R,17R)-3-Hexanoyloxy-16-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-17-Yl] Hexanoate
• Synonyms: Hexanoic Acid [(8R,9S,13S,14S,16R,17R)-16-Hydroxy-13-Methyl-3-(1-Oxohexoxy)-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Hexanoic Acid [(8R,9S,13S,14S,16R,17R)-3-Caproyloxy-16-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; E3-Hex
• Molecular Formula: C₃₀H₄₄O₅
• Molecular Weight: 484.67
• CAS Registry Number: 104202-96-2
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(OC(=O)CCCCC)C=C2)CC[C@@]3([C@@H](OC(=O)CCCCC)[C@H](O)C4)C
• InChI: 1S/C30H44O5/c1-4-6-8-10-27(32)34-21-13-15-22-20(18-21)12-14-24-23(22)16-17-30(3)25(24)19-26(31)29(30)35-28(33)11-9-7-5-2/h13,15,18,23-26,29,31H,4-12,14,16-17,19H2,1-3H3/t23-,24-,25+,26-,29+,30+/m1/s1
• InChIKey: ZOVABFBGAYSQTL-AECPDVIXSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 582.742°C at 760 mmHg (Cal.)
• Flash point: 181.376°C (Cal.)