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Substance Name: Dehydroagastol
RN: 142182-52-3
InChIKey: YAYJIXJFUFMWFD-KDKPCJNHSA-N

Note

  • From root of Agastache rugosa.

Molecular Formula

  • C21-H26-O4

Molecular Weight

  • 342.432
 
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Names and Synonyms

Name of Substance

  • Dehydroagastol

Synonym

  • 19(4-3)Abeo-11,14-dihydroxy-12-methoxy-abieta-8,11,13,15-tetraen-7-one

Systematic Name

  • 9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-5,8-dihydroxy-6-methoxy-2,4a-dimethyl-1-methylene-7-(1-methylethenyl)-, (2S-(2alpha,4aalpha,10abeta))-

Registry Numbers

CAS Registry Number

  • 142182-52-3

System Generated Number

  • 0142182523

Structure Descriptors

InChI

1S/C21H26O4/c1-10(2)15-18(23)16-14(22)9-13-12(4)11(3)7-8-21(13,5)17(16)19(24)20(15)25-6/h11,13,23-24H,1,4,7-9H2,2-3,5-6H3/t11-,13-,21-/m0/s1

InChIKey

YAYJIXJFUFMWFD-KDKPCJNHSA-N

Smiles

C1[C@@H](C([C@@H]2CC(=O)c3c(c(c(c(c3[C@@]2(C)C1)O)OC)C(C)=C)O)=C)C