Tuberostemonine

• Catalog Number: ACM6879012
• Product Name: Tuberostemonine
• CAS: 6879-01-2
• Category: Heterocyclic Organic Compound
• Synonyms: (7aR,8aβ,11aβ,11bα,11cβ)-2β-[(2S,4S)-Tetrahydro-4-methyl-5-oxofuran-2-yl]-8β-ethyltetradecahydro-11β-methylfuro[2,3-h]pyrrolo[3,2,1-jk][1]benzoazepine-10-one
• Molecular Weight: 375.5
• Molecular Formula: C₂₂H₃₃NO₄
• InChI: InChI=1S/C22H33NO4/c1-4-13-14-7-5-6-8-23-16(17-9-11(2)21(24)26-17)10-15(19(14)23)18-12(3)22(25)27-20(13)18/h11-20H,4-10H2,1-3H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20-/m0/s1
• InChI Key: GYOGHROCTSEKDY-JJDZUBOLSA-N
• Melting Point: 86-88 °C
• Complexity: 636
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 10
• Exact Mass: 375.24095853
• Heavy Atom Count: 27
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CC[C@@H]1[C@H]2CCCCN3[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C(=O)O4)C)[C@@H]5[C@H]1OC(=O)[C@H]5C
• Monoisotopic Mass: 375.24095853
• Physical State: Solid
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 55.8 Ų