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Substance Name: Pinusolide
RN: 31685-80-0
InChIKey: WTKBZJAWPZXKJU-NLEAXPPASA-N

Molecular Formula

  • C21-H30-O4

Molecular Weight

  • 346.464
 
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Names and Synonyms

Name of Substance

  • Pinusolide

Systematic Name

  • 1-Naphthalenecarboxylic acid, 5-(2-(2,5-dihydro-2-oxo-3-furanyl)ethyl)decahydro-1,4a-dimethyl-6-methylene-, methyl ester, (1S-(1alpha,4aalpha,5alpha,8abeta))-

Registry Numbers

CAS Registry Number

  • 31685-80-0

System Generated Number

  • 0031685800

Structure Descriptors

InChI

1S/C21H30O4/c1-14-6-9-17-20(2,11-5-12-21(17,3)19(23)24-4)16(14)8-7-15-10-13-25-18(15)22/h10,16-17H,1,5-9,11-13H2,2-4H3/t16-,17+,20+,21-/m0/s1

InChIKey

WTKBZJAWPZXKJU-NLEAXPPASA-N

Smiles

C1[C@@]([C@@H]2CCC([C@@H]([C@@]2(CC1)C)CCC=1C(OCC1)=O)=C)(C(=O)OC)C