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Substance Name: Rutaevin
RN: 33237-37-5
InChIKey: YZMKFMIZNSOPSN-UTOBYFMRSA-N

Note

  • From root bark of Dictamnus daycarpus Turcz.

Molecular Formula

  • C26-H30-O9

Molecular Weight

  • 486.514
 
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Names and Synonyms

Name of Substance

  • Rutaevin

Systematic Name

  • Limonoic acid, 7-deoxo-7-hydroxy-6-oxo-, 3,19:16,17-dilactone, (5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 33237-37-5

System Generated Number

  • 0033237375

Structure Descriptors

InChI

1S/C26H30O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,17-20,29H,5,7,9,11H2,1-4H3/t13-,14-,17+,18-,19-,20+,23-,24-,25?,26+/m0/s1

InChIKey

YZMKFMIZNSOPSN-UTOBYFMRSA-N

Smiles

C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2c5ccoc5)([C@H](C(=O)[C@H]6C37COC(=O)C[C@@H]7OC6(C)C)O)C