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Substance Name: Nardostachin
RN: 114687-82-0
InChIKey: XNBHVNRFMHXLMZ-ODLFONTESA-N

Note

  • Isolated from Nardostachys chinensis Batalin (Valerianaceae).

Molecular Weight

  • 368.467
 
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Names and Synonyms

Name of Substance

  • Nardostachin

Systematic Name

  • Butanoic acid, 3-methyl-, (1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-1-(3-methyl-1-oxobutoxy)cyclopenta(c)pyran-4-yl)methyl ester, (1S-(1alpha,4aalpha,6alpha,7alpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 114687-82-0

System Generated Number

  • 0114687820

Structure Descriptors

InChI

1S/C20H32O6/c1-11(2)6-17(22)24-9-14-10-25-20(26-18(23)7-12(3)4)19-13(5)16(21)8-15(14)19/h10-13,15-16,19-21H,6-9H2,1-5H3/t13-,15+,16-,19+,20-/m0/s1

InChIKey

XNBHVNRFMHXLMZ-ODLFONTESA-N

Smiles

C(CC(C)C)(=O)OCC=1[C@@H]2[C@H]([C@@H](OC1)OC(CC(C)C)=O)[C@H]([C@H](C2)O)C