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Substance Name: alpha-Amyrenone
RN: 638-96-0
UNII: XLL7MH4OJO
InChIKey: DIFWJJFSELKWGA-IPQOMUISSA-N

Note

  • From Marsdenia officinalis Tsiang.

Molecular Formula

  • C30-H48-O

Molecular Weight

  • 424.7082
 
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Names and Synonyms

Name of Substance

  • alpha-Amyrenone

Synonym

  • UNII-XLL7MH4OJO

Systematic Name

  • Urs-12-en-3-one

Registry Numbers

CAS Registry Number

  • 638-96-0

FDA UNII

  • XLL7MH4OJO

System Generated Number

  • 0000638960

Structure Descriptors

InChI

1S/C30H48O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h9,19-20,22-23,25H,10-18H2,1-8H3/t19-,20+,22+,23-,25+,27-,28+,29-,30-/m1/s1

InChIKey

DIFWJJFSELKWGA-IPQOMUISSA-N

Smiles

C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C