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Substance Name: 21-Hydroxyfriedelan-3-one
RN: 59995-80-1
InChIKey: VLNRAGRUEHHINT-ZXNIMFAASA-N

Note

  • From Populus yunnanensis; used as folk remedy for the treatment of urinary infections & calculus.

Molecular Formula

  • C30-H50-O2

Molecular Weight

  • 442.723
 
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Names and Synonyms

Name of Substance

  • 21-Hydroxyfriedelan-3-one

Synonym

  • 21alpha-Hydroxyfriedelan-3-one

Systematic Name

  • D:A-Friedooleanan-3-one, 21-hydroxy-, (21alpha)-

Registry Numbers

CAS Registry Number

  • 59995-80-1

System Generated Number

  • 0059995801

Structure Descriptors

InChI

1S/C30H50O2/c1-19-20(31)9-10-21-27(19,5)12-11-22-28(21,6)14-16-30(8)23-17-25(2,3)24(32)18-26(23,4)13-15-29(22,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21+,22-,23+,24+,26-,27+,28-,29+,30-/m0/s1

InChIKey

VLNRAGRUEHHINT-ZXNIMFAASA-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@@H]5CC(C)(C)[C@H](O)C[C@]5(C)CC[C@]34C