2-[2-[(2E,6E)-3-(Hydroxymethyl)-7-Methyl-9-[(1R,6R)-1,2,6-Trimethyl-1-Cyclohex-2-Enyl]Nona-2,6-Dienyl]Sulfonylethyl]Guanidine
[CAS# 139680-61-8]

Identification

• Name: 2-[2-[(2E,6E)-3-(Hydroxymethyl)-7-Methyl-9-[(1R,6R)-1,2,6-Trimethyl-1-Cyclohex-2-Enyl]Nona-2,6-Dienyl]Sulfonylethyl]Guanidine
• Synonyms: 2-[2-[(2E,6E)-7-Methyl-3-Methylol-9-[(1R,6R)-1,2,6-Trimethyl-1-Cyclohex-2-Enyl]Nona-2,6-Dienyl]Sulfonylethyl]Guanidine; (2-((3-(Hydroxymethyl)-7-Methyl-9-(1,2,6-Trimethyl-2-Cyclohexen-1-Yl)-2,6-Nonadienyl)Sulfonyl)Ethyl)Guanidine (1R-(1Alpha(2E,6E),6Beta))-; Agelasidine D
• Molecular Formula: C₂₃H₄₁N₃O₃S
• Molecular Weight: 439.66
• CAS Registry Number: 139680-61-8
• SMILES: [C@@]1([C@@H](CCC=C1C)C)(CC\C(=C\CC\C(=C/C[S](=O)(=O)CCN=C(N)N)CO)C)C
• InChI: 1S/C23H41N3O3S/c1-18(11-13-23(4)19(2)8-6-9-20(23)3)7-5-10-21(17-27)12-15-30(28,29)16-14-26-22(24)25/h7-8,12,20,27H,5-6,9-11,13-17H2,1-4H3,(H4,24,25,26)/b18-7+,21-12+/t20-,23+/m1/s1
• InChIKey: ZWSGURSNDHDWDQ-MMYYNYMCSA-N

Properties

• Density: 1.122g/cm³ (Cal.)
• Boiling point: 645.685°C at 760 mmHg (Cal.)
• Flash point: 344.298°C (Cal.)