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Substance Name: Shionone
RN: 10376-48-4
UNII: BT0AMD31UB
InChIKey: HXPXUNQUXCHJLL-LZQQOHPBSA-N

Note

  • Isolated from roots of Aster auriculatus Franch.

Molecular Formula

  • C30-H50-O

Molecular Weight

  • 426.724
 
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Names and Synonyms

Name of Substance

  • Shionone

Synonym

  • UNII-BT0AMD31UB

Systematic Name

  • D:A-Friedo-18,19-secolup-19-en-3-one

Registry Numbers

CAS Registry Number

  • 10376-48-4

FDA UNII

  • BT0AMD31UB

System Generated Number

  • 0010376484

Structure Descriptors

InChI

1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1

InChIKey

HXPXUNQUXCHJLL-LZQQOHPBSA-N

Smiles

C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]3[C@@]2(C)CC[C@@]4(C)C[C@](C)(CCC=C(C)C)CC[C@]34C