Sigmoidin A

CAS Registry Number®

87746-48-3
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CAS Name

Sigmoidin A

Molecular Formula

C25H28O6

Molecular Mass

424.49

Cite this Page

Sigmoidin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87746-48-3 (retrieved 2024-09-19) (CAS RN: 87746-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H28O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)24(15)29)21-12-20(28)23-19(27)10-16(26)11-22(23)31-21/h5-6,9-11,21,26-27,29-30H,7-8,12H2,1-4H3/t21-/m0/s1

InChIKey

InChIKey=BVHLNRAYBCPKOY-NRFANRHFSA-N

SMILES

C(C=C(C)C)C1=C(C=C(CC=C(C)C)C(O)=C1O)[C@H]2OC=3C(C(=O)C2)=C(O)C=C(O)C3

Canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C3=CC(=C(O)C(O)=C3CC=C(C)C)CC=C(C)C)C1

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-2,5-bis(3-methyl-2-buten-1-yl)phenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)-
  • 4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-2,5-bis(3-methyl-2-butenyl)phenyl]-2,3-dihydro-5,7-dihydroxy-, (S)-
  • 4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-2,5-bis(3-methyl-2-butenyl)phenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)-
  • (2S)-2-[3,4-Dihydroxy-2,5-bis(3-methyl-2-buten-1-yl)phenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Sigmoidin A