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Substance Name: Brisbenone
RN: 54462-55-4
InChIKey: GNGRJSXLQYQGKU-AIEOQHCFSA-N

Molecular Weight

  • 412.61
 
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Names and Synonyms

Name of Substance

  • Brisbenone

Systematic Name

  • 5-alpha,25-alpha-Spirost-1-en-3-one

Registry Numbers

CAS Registry Number

  • 54462-55-4

System Generated Number

  • 0054462554

Structure Descriptors

InChI

1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h8,10,16-18,20-24H,5-7,9,11-15H2,1-4H3/t16-,17+,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

InChIKey

GNGRJSXLQYQGKU-AIEOQHCFSA-N

Smiles

C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C=CC(=O)C6)C)C)C)OC1