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Substance Name: 12-Dehydro-6alpha-senecioyloxychaparrin
RN: 103850-77-7
InChIKey: KVDUCPNVQRXURP-LDWFOVIJSA-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

  • 12-Dehydro-6alpha-senecioyloxychaparrin

Synonym

  • 12-Dsoc

Systematic Name

  • Picras-3-ene-12,16-dione, 11,20-epoxy-1,2,11-trihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha,11beta)-

Registry Numbers

CAS Registry Number

  • 103850-77-7

System Generated Number

  • 0103850777

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/h6-7,12-14,17-18,20-22,26,30-31H,8-9H2,1-5H3/t12-,13+,14+,17-,18-,20-,21-,22-,23-,24-,25+/m1/s1

InChIKey

KVDUCPNVQRXURP-LDWFOVIJSA-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]3[C@@H](C)C(=O)[C@@]1(O)OC4)=O)[C@@H]2OC(=O)\C=C(\C)C)C