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Substance Name: Isorubijervine
RN: 468-45-1
UNII: E09X2254A7
InChIKey: NMFWDNZLNHRNAT-SBEAXSITSA-N

Molecular Formula

  • C27-H43-N-O2

Molecular Weight

  • 413.642
 
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Names and Synonyms

Name of Substance

  • Isorubijervine

Synonyms

  • Isorubijervine
  • NSC 226131
  • UNII-E09X2254A7

Systematic Names

  • Solanid-5-ene-3,18-diol, (3beta)- (9CI)
  • Solanid-5-ene-3beta,18-diol (8CI)

Registry Numbers

CAS Registry Number

  • 468-45-1

FDA UNII

  • E09X2254A7

System Generated Number

  • 0000468451

Structure Descriptors

InChI

1S/C27H43NO2/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27+/m0/s1

InChIKey

NMFWDNZLNHRNAT-SBEAXSITSA-N

Smiles

C12=CC[C@@H]3[C@@H](CC[C@@]4(CO)[C@H]3C[C@H]3[C@@H]4[C@@H]([C@@H]4[N@@]3C[C@H](CC4)C)C)[C@@]2(CC[C@@H](C1)O)C