Penupogenin
[CAS# 27526-87-0]

Identification

• Name: Penupogenin
• Synonyms: (E)-3-Phenylprop-2-Enoic Acid [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-Tetrahydroxy-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-12-Yl] Ester; (E)-3-Phenylacrylic Acid [(3S,9R,10R,12R,13R,14R,17R)-3,8,14,17-Tetrahydroxy-17-(1-Hydroxyethyl)-10,13-Dimethyl-1,2,3,4,7,9,11,12,15,16-Decahydrocyclopenta[A]Phenanthren-12-Yl] Ester
• Molecular Formula: C₃₀H₄₀O₇
• Molecular Weight: 512.64
• CAS Registry Number: 27526-87-0
• SMILES: [C@@]13(O)[C@@]([C@](O)(CC1)C(O)C)([C@H](OC(=O)\C=C\C2=CC=CC=C2)C[C@H]4C3(O)CC=C5[C@@]4(CC[C@H](O)C5)C)C
• InChI: 1S/C30H40O7/c1-19(31)28(34)15-16-30(36)27(28,3)24(37-25(33)10-9-20-7-5-4-6-8-20)18-23-26(2)13-12-22(32)17-21(26)11-14-29(23,30)35/h4-11,19,22-24,31-32,34-36H,12-18H2,1-3H3/b10-9+/t19?,22-,23+,24+,26-,27+,28-,29?,30+/m0/s1
• InChIKey: CSSZPOBBUXFMAA-OAGFYICFSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 676.361°C at 760 mmHg (Cal.)
• Flash point: 218.21°C (Cal.)