2'-Chloroetoposide
[CAS# 138261-30-0]

Identification

• Name: 2'-Chloroetoposide
• Synonyms: (5S,5Ar,8Ar,9S)-9-[[(2R,4Ar,6R,7R,8R,8As)-7,8-Dihydroxy-2-Methyl-4,4A,6,7,8,8A-Hexahydropyrano[5,6-D][1,3]Dioxin-6-Yl]Oxy]-5-(2-Chloro-4-Hydroxy-3,5-Dimethoxyphenyl)-5A,8,8A,9-Tetrahydro-5H-Isobenzofurano[6,5-F][1,3]Benzodioxol-6-One; (5S-(5Alpha,5Abeta,8Aalpha,9Beta(S*)))-5-(2-Chloro-4-Hydroxy-3,5-Dimethoxyphenyl)-9-((4,6-O-Ethylidene-Beta-D-Glucopyranosyl)Oxy)-5,8,8A,9-Tetrahydrofuro(3',4':6,7)Naphtho(2,3-D)-1,3-Dioxol-6(5Ah)-One; 2'-Chloroetoposide
• Molecular Formula: C₂₉H₃₁ClO₁₃
• Molecular Weight: 623.01
• CAS Registry Number: 138261-30-0
• SMILES: [C@H]3(C2=C(C=C1OCOC1=C2)[C@H]([C@@H]4[C@@H]3COC4=O)C5=CC(=C(C(=C5Cl)OC)O)OC)O[C@H]7[C@H](O)[C@@H](O)[C@@H]6O[C@@H](OC[C@H]6O7)C
• InChI: 1S/C29H31ClO13/c1-10-37-8-18-26(41-10)23(32)24(33)29(42-18)43-25-12-5-16-15(39-9-40-16)4-11(12)19(20-14(25)7-38-28(20)34)13-6-17(35-2)22(31)27(36-3)21(13)30/h4-6,10,14,18-20,23-26,29,31-33H,7-9H2,1-3H3/t10-,14+,18-,19+,20+,23-,24-,25-,26-,29+/m1/s1
• InChIKey: DZMCFYWOYIRWSO-LBBLGMBRSA-N