Janthitrem B
[CAS# 73561-90-7]

Identification

• Name: Janthitrem B
• Synonyms: Janthitrem B; 2,3,5,6,6A,7,9,9A,10,12,15,15B,15C,16,17,17A-Hexadecahydro-10,10,12,12,15B,15C-Hexamethyl-2-(1-Methylethenyl)-4Bh-1-Benzopyrano(5',6':6,7)Indeno(1,2-B)Pyrano(4',3':3,4)Cyclopent(1,2-F)Indole-3,4B,9-Triol
• Molecular Formula: C₃₇H₄₇NO₅
• Molecular Weight: 585.78
• CAS Registry Number: 73561-90-7
• SMILES: [C@@H]2([C@H]1C(=CC(OC1(C)C)(C)C)C3=C2C=C4C(=C3)[NH]C5=C4C[C@H]6[C@]5([C@@]8([C@@](CC6)(C7=C[C@H]([C@H](O[C@H]7CC8)C(C)=C)O)O)C)C)O
• InChI: 1S/C37H47NO5/c1-18(2)31-27(39)16-25-28(42-31)10-11-35(7)36(8)19(9-12-37(25,35)41)13-23-21-14-22-20(15-26(21)38-32(23)36)24-17-33(3,4)43-34(5,6)29(24)30(22)40/h14-17,19,27-31,38-41H,1,9-13H2,2-8H3/t19-,27+,28-,29+,30+,31+,35+,36+,37+/m0/s1
• InChIKey: FYYNBFCZCKFSKS-QSDHUPEDSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 763.273°C at 760 mmHg (Cal.)
• Flash point: 415.412°C (Cal.)