Buxbodine D

• Catalog Number: ACM390362535
• Product Name: Buxbodine D
• CAS: 390362-53-5
• Category: Heterocyclic Organic Compound
• Synonyms: Acetamide, N-[(3β,5α,20S)-3-(dimethylamino)-4,4,14-trimethyl-9,19-cyclopregn-6-en-20-yl]- (9CI)
• Molecular Weight: 426.7
• InChI: InChI=1S/C28H46N2O/c1-18(29-19(2)31)20-11-13-26(6)22-10-9-21-24(3,4)23(30(7)8)12-14-27(21)17-28(22,27)16-15-25(20,26)5/h9-10,18,20-23H,11-17H2,1-8H3,(H,29,31)/t18-,20+,21-,22-,23-,25+,26-,27+,28-/m0/s1
• InChI Key: ZIOKSILAUNMUGQ-DMEQQSNASA-N
• Complexity: 816
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 9
• Exact Mass: 426.361014095
• Heavy Atom Count: 31
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C)NC(=O)C
• Monoisotopic Mass: 426.361014095
• Physical State: Powder
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 32.3 Ų