[Methyl-3H]-Rauwolscine
[CAS# 182509-57-5]

Identification

• Name: [Methyl-3H]-Rauwolscine
• Synonyms: Yohimban-16-Carboxylic Acid, 17-Hydroxy-, Methyl Ester, Labeled With Tritium, (16Beta,17Alpha,20Alpha)- (9Ci); [Methyl-3H] Corynanthidine; [Methyl-3H] Isoyohimbine
• Molecular Formula: C₂₁H₂₅TN₂O₃
• Molecular Weight: 356.46
• CAS Registry Number: 182509-57-5
• SMILES: [C@@H]15[C@@H](CN2[C@@H](C1)C4=C(CC2)C3=CC=CC=C3[NH]4)CC[C@H](O)[C@H]5C(OC[3H])=O
• InChI: 1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1/i1T
• InChIKey: BLGXFZZNTVWLAY-XDGRAVGFSA-N

Properties

• Boiling point: 542.979°C at 760 mmHg (Cal.)
• Flash point: 282.184°C (Cal.)