Baccatin IX
[CAS# 1623410-12-7]

Identification

• Name: Baccatin IX
• Molecular Formula: C₃₁H₄₀O₁₂
• Molecular Weight: 604.64
• CAS Registry Number: 1623410-12-7
• SMILES: CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(C(C1O)O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O)OC(=O)C
• InChI: 1S/C31H40O12/c1-14-20-22(41-15(2)32)25(37)29(6)18(34)12-19-30(13-40-19,43-16(3)33)23(29)26(42-27(38)17-10-8-7-9-11-17)31(39,28(20,4)5)24(36)21(14)35/h7-11,18-19,21-26,34-37,39H,12-13H2,1-6H3/t18-,19+,21+,22+,23-,24-,25-,26-,29+,30-,31+/m0/s1
• InChIKey: YFNJMSUUYCXOBD-UNRSFZBISA-N