Spongistatin 1
[CAS# 148179-94-6]

Identification

• Name: Spongistatin 1
• Synonyms: 8,12,45,46,47,48,50-Heptaoxaheptacyclo(39.3.1.11,5.19,13.115,19.125,29.129,33)Pentacont-23-Ene-7,35-Dione, 3,37-Bis(Acetyloxy)-11-(7-Chloro-4-Hydroxy-2-Methylene-5,7-Octadienyl)-10,14,15,17,27,43-Hexahydroxy-31-Methoxy-18,36,38,43,49-Pentamethyl-39-Methyl
• Molecular Formula: C₆₃H₉₅ClO₂₁
• Molecular Weight: 1223.88
• CAS Registry Number: 148179-94-6
• SMILES: O4C15C(C(CC(O)C1)C=CCCCC2OC(O)(CC(O)C2C)C(O)C7OC(OC(=O)CC6OC3(OC(CC(O)(C3)C)CC(C(C(OC(=O)C)C(C(=O)CC4CC(OC)C5)C)C)=C)CC(OC(=O)C)C6)C(O)C(O7)CC(CC(O)\C=C\C(Cl)=C)=C)C
• InChI: 1S/C63H95ClO21/c1-33(19-43(67)18-17-35(3)64)20-53-55(72)58-80-54(71)26-46-24-48(77-40(8)65)30-62(83-46)32-60(10,74)28-49(84-62)21-34(2)36(4)56(78-41(9)66)38(6)50(69)25-45-23-47(76-11)29-61(82-45)27-44(68)22-42(39(61)7)15-13-12-14-16-52-37(5)51(70)31-63(75,85-52)57(73)59(79-53)81-58/h13,15,17-18,36-39,42-49,51-53,55-59,67-68,70,72-75H,1-3,12,14,16,19-32H2,4-11H3/b15-13?,18-17+
• InChIKey: OBLCEVLAQAFINR-CMVVSLHSSA-N