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Substance Name: Calenduladiol
RN: 10070-48-1
UNII: 5F669S8218
InChIKey: AJBZENLMTKDAEK-SKESNUHASA-N

Molecular Formula

  • C30-H50-O2

Molecular Weight

  • 442.723
 
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Names and Synonyms

Results Name

  • Calenduladiol

Name of Substance

  • Calenduladiol

Synonyms

  • Calenduladiol
  • Lup-20(29)-ene-3,16-diol, (3beta,16beta)-
  • NSC 92227
  • UNII-5F669S8218

Systematic Name

  • (1R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-1-Isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta(a)chrysene-4,9-diol

Registry Numbers

CAS Registry Number

  • 10070-48-1

FDA UNII

  • 5F669S8218

System Generated Number

  • 0010070481

Structure Descriptors

InChI

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

InChIKey

AJBZENLMTKDAEK-SKESNUHASA-N

Smiles

CC(=C)[C@@H]1CC[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12