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Substance Name: Dihydrotomatidine B
RN: 1449-16-7
UNII: ZAW6BNA980
InChIKey: PNCADIYJKRZFGU-HRRTYWNUSA-N

Molecular Formula

  • C27-H47-N-O2

Molecular Weight

  • 417.6733
 
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Names and Synonyms

Name of Substance

  • Dihydrotomatidine B

Synonyms

  • NSC 29716
  • NSC 71297
  • UNII-ZAW6BNA980

Systematic Name

  • Pregnane-3,16-diol, 20-((2R,5S)-5-methyl-2-piperidinyl)-, (3beta,5alpha,16beta,20S)-

Registry Numbers

CAS Registry Number

  • 1449-16-7

FDA UNII

  • ZAW6BNA980

System Generated Number

  • 0001449167

Structure Descriptors

InChI

1S/C27H47NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,28-30H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1

InChIKey

PNCADIYJKRZFGU-HRRTYWNUSA-N

Smiles

C[C@H]1CC[C@@H](NC1)[C@@H](C)[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O