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Substance Name: Betaenone B
RN: 85269-23-4
UNII: C9873620HS
InChIKey: PUZNAAVWFXQUDM-HBKHSIGZSA-N

Molecular Weight

  • 368.51
 
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Names and Synonyms

Results Name

  • Betaenone B

Name of Substance

  • Betaenone B

Synonyms

  • Betaenone B
  • UNII-C9873620HS

Systematic Name

  • 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxopropyl)-2,4,5,7-tetramethyl-3-((1R)-1-methylpropyl)-, (2S,3R,4R,4aS,5R,7R,8aS)-

Registry Numbers

CAS Registry Number

  • 85269-23-4

FDA UNII

  • C9873620HS

System Generated Number

  • 0085269234

Structure Descriptors

InChI

1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

InChIKey

PUZNAAVWFXQUDM-HBKHSIGZSA-N

Smiles

C1([C@@]([C@@H]([C@]([C@H]2[C@@H](C[C@@](C[C@H]12)(C)O)C)(C)C(CCO)=O)[C@@H](CC)C)(C)O)=O