(17R,20alpha)-4-(2-Piperidinoethyl)-4,21-Secoajmalan-17-Ol
[CAS# 58918-27-7]

Identification

• Name: (17R,20alpha)-4-(2-Piperidinoethyl)-4,21-Secoajmalan-17-Ol
• Synonyms: 4,21-Secoajmalan-17-Ol, 4-(2-Piperidinoethyl)-, (17R)-; 4,21-Secoajmalan-17-Ol, 4-(2-Piperidinoethyl)-, (17R,20-Alpha)-; (17R,20-Alpha)-4-(2-Piperidinoethyl)-4,21-Secoajmalan-17-Ol
• Molecular Formula: C₂₇H₄₁N₃O
• Molecular Weight: 423.64
• CAS Registry Number: 58918-27-7 (58893-14-4)
• SMILES: C1=CC=C2C(=C1)N(C3C26C(C4C(N(C3CC4C(C)CC)CCN5CCCCC5)C6)O)C
• InChI: 1S/C27H41N3O/c1-4-18(2)19-16-22-25-27(20-10-6-7-11-21(20)28(25)3)17-23(24(19)26(27)31)30(22)15-14-29-12-8-5-9-13-29/h6-7,10-11,18-19,22-26,31H,4-5,8-9,12-17H2,1-3H3
• InChIKey: SUELAGWTBYZFJK-UHFFFAOYSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 552.651°C at 760 mmHg (Cal.)
• Flash point: 263.093°C (Cal.)