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Substance Name: Shikonin angelate
RN: 57094-89-0
InChIKey: ZGQONWTUIANWFM-OMLDUKLJSA-N

Molecular Formula

  • C21-H22-O6

Molecular Weight

  • 370.399
 
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Names and Synonyms

Results Name

  • Shikonin angelate

Synonym

  • Shikonin angelate

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R-(Z))-

Registry Numbers

CAS Registry Number

  • 57094-89-0

System Generated Number

  • 0057094890

Structure Descriptors

InChI

1S/C21H22O6/c1-5-12(4)21(26)27-17(9-6-11(2)3)13-10-16(24)18-14(22)7-8-15(23)19(18)20(13)25/h5-8,10,17,22-23H,9H2,1-4H3/b12-5-/t17-/m1/s1

InChIKey

ZGQONWTUIANWFM-OMLDUKLJSA-N

Smiles

C(\C(=C/C)C)(=O)O[C@H](C\C=C(\C)C)C=1C(c2c(ccc(c2C(C1)=O)O)O)=O