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Substance Name: 13,18-Dehydro-6alpha-senecioyloxychaparrin
RN: 103839-22-1
InChIKey: UDYDQIYSNNAQSU-YSSSMICESA-N

Note

  • Isolated from Simaba multiflora.

Molecular Formula

  • C25-H32-O9

Molecular Weight

  • 476.519
 
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Names and Synonyms

Name of Substance

  • 13,18-Dehydro-6alpha-senecioyloxychaparrin

Synonym

  • 13,18-Dsoc

Systematic Name

  • Picrasa-3,13(21)-dien-16-one, 11,20-epoxy-1,2,11,12-trihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha,11beta,12alpha)-

Registry Numbers

CAS Registry Number

  • 103839-22-1

System Generated Number

  • 0103839221

Structure Descriptors

InChI

1S/C25H32O9/c1-10(2)6-15(27)33-18-17-11(3)7-14(26)20(30)23(17,5)22-24-9-32-25(22,31)19(29)12(4)13(24)8-16(28)34-21(18)24/h6-7,13-14,17-22,26,29-31H,4,8-9H2,1-3,5H3/t13-,14-,17+,18+,19+,20+,21+,22+,23+,24+,25-/m0/s1

InChIKey

UDYDQIYSNNAQSU-YSSSMICESA-N

Smiles

C1=C([C@H]2[C@@]([C@@H](O)[C@H]1O)(C)[C@@H]1[C@@]34[C@@H](OC(C[C@H]3C(=C)[C@H](O)[C@@]1(O)OC4)=O)[C@@H]2OC(=O)\C=C(\C)C)C