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nigrasin G

Go to external page http://purl.obolibrary.org/obo/CHEBI_68018

An extended flavonoid that is 5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one substituted by hydroxy groups at positions 1, 3, 8 and 10a and a 3-hydroxy-2,6,10-trimethyldodeca-1,6,10-trien-12-yl group at position 5a. It has been isolated from the twigs of Morus nigra.

Term info

Label

nigrasin G

Synonyms
  • (5aS,10aR)-1,3,8,10a-tetrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trien-1-yl]-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(5aS,10aR)-1,3,8,10a-tetrahydroxy-5a-[(2E,6E)-10-hydroxy-3,7,11-trimethyldodeca-2,6,11-trien-1-yl]-5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one [ IUPAC ]

charge

0

formula

C30H34O8

has obo namespace

chebi_ontology

id

CHEBI:68018

inchi

InChI=1S/C30H34O8/c1-17(2)23(33)11-8-18(3)6-5-7-19(4)12-13-29-22-10-9-20(31)15-25(22)38-30(29,36)28(35)27-24(34)14-21(32)16-26(27)37-29/h6,9-10,12,14-16,23,31-34,36H,1,5,7-8,11,13H2,2-4H3/b18-6+,19-12+/t23?,29-,30-/m0/s1

inchikey

IZSBTQUUESEKPV-GOMYMHFFSA-N

mass

522.58620

monoisotopicmass

522.22537

smiles

CC(=C)C(O)CC\C(C)=C\CC\C(C)=C\C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc21