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Substance Name: Scoparic acid A
RN: 116425-30-0
InChIKey: QFBCLMHSADEAML-OZWNOFDKSA-N

Molecular Formula

  • C27-H36-O5

Molecular Weight

  • 440.576
 
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Names and Synonyms

Name of Substance

  • Scoparic acid A

Systematic Name

  • 1-Naphthalenecarboxylic acid, 8-(benzoyloxy)decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-

Registry Numbers

CAS Registry Number

  • 116425-30-0

System Generated Number

  • 0116425300

Structure Descriptors

InChI

1S/C27H36O5/c1-18(14-16-28)12-13-22-19(2)17-23(32-25(29)20-9-6-5-7-10-20)24-21(26(30)31-4)11-8-15-27(22,24)3/h5-7,9-10,14,21-24,28H,2,8,11-13,15-17H2,1,3-4H3/b18-14+/t21-,22-,23-,24+,27-/m1/s1

InChIKey

QFBCLMHSADEAML-OZWNOFDKSA-N

Smiles

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