Simaomicin alpha
[CAS# 100157-22-0]

Identification

• Name: Simaomicin alpha
• Synonyms: 2H-Xantheno(2',3':6,7)(1,3)Benzodioxino(4,5-Fg)Isoquinoline-1,15-Dione, 7A,8,11,12,13,14-Hedahydro-11,14,16,17-Tetrahydroxy-9-Methoxy-2,3-Dimethyl-, (7Aalpha,11Beta,14Alpha)-(+)-; Ll D42067alpha
• Molecular Formula: C₂₈H₂₅NO₁₀
• Molecular Weight: 535.51
• CAS Registry Number: 100157-22-0
• SMILES: CN2C(C1=C(C4=C3C(=C1C=C2C)OCOC3CC5=C(OC)C7=C(C(=C45)O)C(C6=C(C(O)CCC6O)O7)=O)O)=O
• InChI: 1S/C28H25NO10/c1-9-6-10-16(28(35)29(9)2)22(33)19-15-11(7-14-18(19)24(10)38-8-37-14)25(36-3)27-20(21(15)32)23(34)17-12(30)4-5-13(31)26(17)39-27/h6,12-14,30-33H,4-5,7-8H2,1-3H3
• InChIKey: DQPBSXMRMTWOAQ-UHFFFAOYSA-N