Benastatin A
[CAS# 138968-85-1]

Identification

• Name: Benastatin A
• Synonyms: Benzo(A)Naphthacene-2-Carboxylic Acid, 8,13-Dihydro-13,13-Dimethyl-8-Oxo-3-Pentyl-1,7,9,11-Tetrahydroxy-
• Molecular Formula: C₃₀H₂₈O₇
• Molecular Weight: 500.55
• CAS Registry Number: 138968-85-1
• SMILES: C1=C4C(=C(O)C2=C1C(C3=C(C2=O)C(=CC(=C3)O)O)(C)C)C=CC5=C4C(=C(C(=C5)CCCCC)C(=O)O)O
• InChI: 1S/C30H28O7/c1-4-5-6-7-14-10-15-8-9-17-18(22(15)27(34)23(14)29(36)37)13-20-25(26(17)33)28(35)24-19(30(20,2)3)11-16(31)12-21(24)32/h8-13,31-34H,4-7H2,1-3H3,(H,36,37)
• InChIKey: LKGKHTANQJZVPR-UHFFFAOYSA-N