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Substance Name: Macrocalyxin C
RN: 91379-75-8
InChIKey: STHPHTFJMBGODJ-NJBUVHOGSA-N

Note

  • Isolated from the stems and leaves of Isodon albopilosus.

Molecular Formula

  • C20-H28-O5

Molecular Weight

  • 348.4362
 
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Names and Synonyms

Name of Substance

  • Macrocalyxin C

Synonym

  • (4beta,7alpha,12alpha,14R)-7,12,14-Trihydroxy-15-oxo-kaur-16-en-18-al

Systematic Name

  • Kaur-16-en-18-al, 7,12,14-trihydroxy-15-oxo-, (4beta,7alpha,12alpha,14R)-

Registry Numbers

CAS Registry Number

  • 91379-75-8

System Generated Number

  • 0091379758

Structure Descriptors

InChI

1S/C20H28O5/c1-10-15-11(22)7-13-19(3)6-4-5-18(2,9-21)12(19)8-14(23)20(13,16(10)24)17(15)25/h9,11-15,17,22-23,25H,1,4-8H2,2-3H3/t11-,12+,13-,14+,15?,17-,18+,19+,20?/m0/s1

InChIKey

STHPHTFJMBGODJ-NJBUVHOGSA-N

Smiles

C[C@@]1(CCC[C@@]2([C@@H]1C[C@H](C34[C@H]2C[C@@H](C([C@@H]3O)C(=C)C4=O)O)O)C)C=O