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Substance Name: Scoparic acid B
RN: 116425-29-7
InChIKey: SGSIASLSMOMYQB-QTXJXSEISA-N

Molecular Weight

  • 412.523
 
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Names and Synonyms

Results Name

  • Scoparic acid B

Synonym

  • Scoparic acid B

Systematic Name

  • 1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-1,4a-dimethyl-6-methylene-5-(3-oxobutyl)-, (1R,4aR,5R,8R,8aR)-

Registry Numbers

CAS Registry Number

  • 116425-29-7

System Generated Number

  • 0116425297

Structure Descriptors

InChI

1S/C25H32O5/c1-16-15-21(30-23(27)18-9-6-5-7-10-18)22-19(24(28)29-4)11-8-14-25(22,3)20(16)13-12-17(2)26/h5-7,9-10,19-22H,1,8,11-15H2,2-4H3/t19-,20-,21-,22+,25-/m1/s1

InChIKey

SGSIASLSMOMYQB-QTXJXSEISA-N

Smiles

C1[C@H]([C@H]2[C@@H](CC([C@H]([C@@]2(CC1)C)CCC(C)=O)=C)OC(c1ccccc1)=O)C(=O)OC