Phellamurin

CAS Registry Number®

52589-11-4
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CAS Name

Phellamurin

Molecular Formula

C26H30O11

Molecular Mass

518.51

Cite this Page

Phellamurin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52589-11-4 (retrieved 2024-04-30) (CAS RN: 52589-11-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/s1

InChIKey

InChIKey=GRDZTDZJQRPNCN-YIANMRPHSA-N

SMILES

C(C=C(C)C)C1=C2C(C(=O)[C@H](O)[C@H](O2)C3=CC=C(O)C=C3)=C(O)C=C1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C2=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C(=C2OC(C4=CC=C(O)C=C4)C1O)CC=C(C)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-, (2R,3R)-
  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (2R-trans)-
  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (2R,3R)-
  • (2R,3R)-7-(β-D-Glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
  • Phellamurin

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Deleted or Replaced CAS Registry Numbers

139238-42-9, 257625-53-9

CAS INSIGHTSTM
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