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Substance Name: Ailantinol A
RN: 176181-83-2
InChIKey: HUYSJYHAQVRRHA-JZYHSOEQSA-N

Note

  • Isolated from Ailanthus altissima.

Molecular Formula

  • C21-H26-O8

Molecular Weight

  • 406.4284
 
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Names and Synonyms

Results Name

  • Ailantinol A

Synonym

  • Ailantinol A

Systematic Name

  • 3H,4H-Furo(3',4':3,4)naphtho(2,3-b)pyran-4-acetic acid, 1,5,6,7a,8,8a,11,12,12a,12b-decahydro-12-hydroxy-alpha,9,12a-trimethyl-1,6,11-trioxo-, methyl ester, (alphaR,3aS,4S,7aR,8aS,12S,12aS,12bR)-

Registry Numbers

CAS Registry Number

  • 176181-83-2

System Generated Number

  • 0176181832

Structure Descriptors

InChI

1S/C21H26O8/c1-9-5-13(22)17(24)20(3)11(9)6-14-21(8-28-19(26)16(20)21)12(7-15(23)29-14)10(2)18(25)27-4/h5,10-12,14,16-17,24H,6-8H2,1-4H3/t10?,11-,12-,14+,16+,17+,20-,21+/m0/s1

InChIKey

HUYSJYHAQVRRHA-JZYHSOEQSA-N

Smiles

CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]4(C2C(=O)OC4)C(CC(=O)O3)C(C)C(=O)OC)C)O