Cantalasaponin 3
[CAS# 103735-23-5]

Identification

• Name: Cantalasaponin 3
• Synonyms: Cantalasaponin 3
• Molecular Formula: C₅₀H₈₂O₂₂
• Molecular Weight: 1035.18
• CAS Registry Number: 103735-23-5
• SMILES: C(C1OC(C(C(C1OC2C(C(C(CO2)O)O)O)O)OC3C(C(C(C(C3OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)OC8CCC7(C6CCC5(C9C(CC5C6CCC7C8)OC%10(C9C)CCC(CO%10)C)C)C)O
• InChI: 1S/C50H82O22/c1-19-7-12-50(65-17-19)20(2)30-27(72-50)14-25-23-6-5-21-13-22(8-10-48(21,3)24(23)9-11-49(25,30)4)66-47-44(40(63)41(29(16-52)68-47)70-45-38(61)31(54)26(53)18-64-45)69-42-36(59)34(57)35(58)37(60)43(42)71-46-39(62)33(56)32(55)28(15-51)67-46/h19-47,51-63H,5-18H2,1-4H3
• InChIKey: FYOUZAVGEYRIAZ-UHFFFAOYSA-N

Properties

• Density: 1.508g/cm³ (Cal.)

References

• (1): . Two new steroidal saponins from the fresh leaves of Agave sisalana,