Genkwadaphnin
[CAS# 55073-32-0]

Identification

• Name: Genkwadaphnin
• Synonyms: Brn 1675425; Daphnetoxin, 12-(Benzoyloxy)-, (12-Beta)-; Daphnetoxin, 12-(Benzoyloxy)-, (12Beta)-
• Molecular Formula: C₃₄H₃₄O₁₀
• Molecular Weight: 602.64
• CAS Registry Number: 55073-32-0
• SMILES: [C@@H]16[C@@]4(O[C@]2(O[C@H]1[C@@](O2)([C@H](OC(=O)C3=CC=CC=C3)[C@H]4C)C(=C)C)C5=CC=CC=C5)[C@H]8[C@](O)([C@H](O)[C@]7(O[C@@H]67)CO)C(=O)C(=C8)C
• InChI: 1S/C34H34O10/c1-17(2)32-25(40-28(37)20-11-7-5-8-12-20)19(4)33-22-15-18(3)24(36)31(22,39)29(38)30(16-35)26(41-30)23(33)27(32)42-34(43-32,44-33)21-13-9-6-10-14-21/h5-15,19,22-23,25-27,29,35,38-39H,1,16H2,2-4H3/t19-,22-,23+,25-,26+,27-,29-,30+,31-,32+,33+,34+/m1/s1
• InChIKey: QKMXESBAFIKRAD-LPHDITAFSA-N

Properties

• Density: 1.491g/cm³ (Cal.)