7,8-dihydroxy-3,4,15-triacetoxyscirpenol

Chemical Formula:

C₂₁H₂₈O₁₀

Molecular Weight:

440.446 Daltons

Monoisotopic Mass:

440.16824711979996 Daltons

SMILES:

CC2(C(O)C(O)C1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))

InChI:

1S/C21H28O10/c1-9-6-13-20(7-27-10(2)22,16(26)14(9)25)19(5)17(30-12(4)24)15(29-11(3)23)18(31-13)21(19)8-28-21/h6,13-18,25-26H,7-8H2,1-5H3/t13?,14-,15-,16-,17-,18?,19-,20-,21?/m1/s1

InChIKey:

URJKZBKWIWMEQI-VMGHNTLZSA-N

Synonyms

7,8-dihydroxy-TAS
7,8-dihydroxydiacetoxyscirpenol

Databases

MetaCyc: CPD-18424

PubChem (CID): 102515214

ChemSpider: 171667

MetaNetX: MNXM164385