actinorhodin intermediate

Chemical Formula:

C₃₂H₂₆O₁₂

Molecular Weight:

602.55 Daltons

Monoisotopic Mass:

604.158076364 Daltons

SMILES:

CC3(C2(C(C1(C(=C(C=CC=1C(C2C[CH](CC(=O)[O-])O3)=O)C4(C=CC5(=C(C=4O)C(C6(C(C)O[CH](CC(=O)[O-])CC(C5=O)=6))=O)))O))=O))

InChI:

1S/C32H28O12/c1-11-23-19(7-13(43-11)9-21(33)34)27(37)17-5-3-15(29(39)25(17)31(23)41)16-4-6-18-26(30(16)40)32(42)24-12(2)44-14(10-22(35)36)8-20(24)28(18)38/h3-6,11-14,19,23,39-40H,7-10H2,1-2H3,(H,33,34)(H,35,36)/p-2/t11-,12-,13+,14+,19?,23?/m1/s1

InChIKey:

SBUXZMWLUZDDQC-XHXARZKCSA-L

Databases

MetaCyc: CPD1A0-6119

PubChem (CID): 25244781