Adelphane
[CAS# 51810-90-3]

Identification

• Name: Adelphane
• Synonyms: Adelphane; Yohimban-16-Carboxylic Acid, 11,17-Dimethoxy-18-((3,4,5-Trimethoxybenzoyl)Oxy)-, Methyl Ester, (3-Beta,16-Beta,17-Alpha,18-Beta,20-Alpha)-, Mixed With 2,3-Dihydro-1,4-Phthalazinedione Dihydrazone Sulfate (1:1)
• Molecular Formula: C₄₁H₅₂N₈O₁₃S
• Molecular Weight: 896.97
• CAS Registry Number: 51810-90-3
• SMILES: [C@@H]16[C@@H](CN4[C@H](C1)C3=C(C2=CC=C(OC)C=C2[NH]3)CC4)C[C@@H](OC(=O)C5=CC(=C(OC)C(=C5)OC)OC)[C@H](OC)[C@H]6C(OC)=O.O=[S](=O)(O)O.C7=C8C(=CC=C7)C(=NN=C8NN)NN
• InChI: 1S/C33H40N2O9.C8H10N6.H2O4S/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19;9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;1-4H,9-10H2,(H,11,13)(H,12,14);(H2,1,2,3,4)/t18-,22+,24-,27-,28+,31+;;/m1../s1
• InChIKey: AXQJLSWBEWJJLV-IOSAXKQOSA-N

Properties

• Boiling point: 700.1°C at 760 mmHg (Cal.)
• Flash point: 377.2°C (Cal.)