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Substance Name: Scopadulciol
RN: 136565-26-9
InChIKey: CFPMRJFTBKYCRR-WBQBDWMHSA-N

Classification Codes

  • Enzyme Inhibitors
  • Proton Pump Inhibitors

Molecular Weight

  • 424.577
 
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Names and Synonyms

Name of Substance

  • Scopadulciol

Synonym

  • 6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol

Systematic Name

  • 9,11a-Methano-11aH-cyclohepta(a)naphthalen-8(9H)-one, 5-(benzoyloxy)dodecahydro-4-(hydroxymethyl)-4,9,11b-trimethyl-, (4R-(4alpha,4aalpha,5beta,6abeta,9beta,11abeta,11bbeta))-

Registry Numbers

CAS Registry Number

  • 136565-26-9

System Generated Number

  • 0136565269

Structure Descriptors

InChI

1S/C27H36O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-20,22,28H,7,10-17H2,1-3H3/t19-,20+,22-,24-,25+,26-,27-/m1/s1

InChIKey

CFPMRJFTBKYCRR-WBQBDWMHSA-N

Smiles

C1[C@H]2[C@@]3([C@@]4(CCC[C@@]([C@@H]4[C@H]1OC(c1ccccc1)=O)(C)CO)C)CC[C@@](C(C2)=O)(C3)C