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Substance Name: Betaenone C
RN: 85269-25-6
UNII: S651337T8I
InChIKey: YRYPVWAJOMXOHH-ITBWMFDCSA-N

Molecular Formula

  • C21-H34-O5

Molecular Weight

  • 366.4946
 
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Names and Synonyms

Name of Substance

  • Betaenone C

Synonyms

  • (-)-Betaenone C
  • (2S,3R,4R,4aS,5R,7R,8aS)-Octahydro-2,7-dihydroxy-4-((2Z)-3-hydroxy-1-oxo-2-propen-1-yl)-2,4,5,7-tetramethyl-3-((1R)-1-methylpropyl)-1(2H)-naphthalenone
  • 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-4-((2Z)-3-hydroxy-1-oxo-2-propenyl)-2,4,5,7-tetramethyl-3-((1R)-1-methylpropyl)-, (2S,3R,4R,4aS,5R,7R,8aS)-
  • 1(2H)-Naphthalenone, octahydro-2,7-dihydroxy-4-(3-hydroxy-1-oxo-2-propenyl)-2,4,5,7-tetramethyl-3-(1-methylpropyl)-, (2S-(2alpha,3beta(S*),4beta(Z),4abeta,5beta,7alpha,8aalpha))-
  • Betaenone C
  • Betaenone C, (-)-
  • UNII-S651337T8I

Registry Numbers

CAS Registry Number

  • 85269-25-6

FDA UNII

  • S651337T8I

System Generated Number

  • 0085269256

Structure Descriptors

InChI

1S/C21H34O5/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/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

InChIKey

YRYPVWAJOMXOHH-ITBWMFDCSA-N

Smiles

CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@](C)(O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)\C=C/O