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Substance Name: 3-Butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-1(3H)-isobenzofuranone
RN: 153609-96-2
InChIKey: PNJRAYMMEKSTAW-UHFFFAOYSA-N

Note

  • Isolated from the dried root tubers of Polygonum multiflorum.

Molecular Formula

  • C12-H16-O4

Molecular Weight

  • 226.2702
 
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Names and Synonyms

Name of Substance

  • 3-Butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-1(3H)-isobenzofuranone

Synonym

  • 3-Btd-isobenzofuranone

Systematic Name

  • 1(3H)-Isobenzofuranone, 3-butylidene-4,5,6,7-tetrahydro-6,7-dihydroxy-, cis-

Registry Numbers

CAS Registry Number

  • 153609-96-2

System Generated Number

  • 0153609962

Structure Descriptors

InChI

1S/C12H18O4/c1-3-11(2)10-12(11)5-4-6(13)8(14)7(12)9(15)16-10/h6-8,10,13-14H,3-5H2,1-2H3

InChIKey

PNJRAYMMEKSTAW-UHFFFAOYSA-N

Smiles

C1(O[C@@H]2[C@@]3(CC[C@@H]([C@@H]([C@@H]13)O)O)[C@@]2(CC)C)=O