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Substance Name: Betaenone D
RN: 88899-16-5
UNII: 58VL774K2X
InChIKey: GZZDPJWUAOGKFV-CIFXNPCASA-N

Molecular Formula

  • C21-H36-O6

Molecular Weight

  • 384.5094
 
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Names and Synonyms

Name of Substance

  • Betaenone D

Synonyms

  • 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-7-(hydroxymethyl)-4-(3-hydroxy-1-oxopropyl)-2,4,5-trimethyl-3-((1R)-1-methylpropyl)-, (2S,3R,4R,4aS,5R,7R,8aS)-
  • 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-7-(hydroxymethyl)-4-(3-hydroxy-1-oxopropyl)-2,4,5-trimethyl-3-(1-methylpropyl)-, (2S-(2alpha,3beta(S*),4beta,4abeta,5beta,7alpha,8aalpha))-
  • Betaenone D
  • UNII-58VL774K2X

Registry Numbers

CAS Registry Number

  • 88899-16-5

FDA UNII

  • 58VL774K2X

System Generated Number

  • 0088899165

Structure Descriptors

InChI

1S/C21H36O6/c1-6-12(2)17-19(4,15(24)7-8-22)16-13(3)9-21(27,11-23)10-14(16)18(25)20(17,5)26/h12-14,16-17,22-23,26-27H,6-11H2,1-5H3/t12-,13-,14+,16+,17-,19-,20+,21-/m1/s1

InChIKey

GZZDPJWUAOGKFV-CIFXNPCASA-N

Smiles

CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@@](O)(CO)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO