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Substance Name: Neogermerine
RN: 134357-41-8
UNII: Q4GRZ3MI7E
InChIKey: JOBMMOBXVRRLOS-PRIJCJNKSA-N

Molecular Formula

  • C37-H59-N-O11

Molecular Weight

  • 693.8691
 
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Names and Synonyms

Name of Substance

  • Neogermerine

Synonyms

  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3-((2R)-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta,4alpha,7alpha,15alpha,16beta)-
  • Neogermerine
  • UNII-Q4GRZ3MI7E

Registry Numbers

CAS Registry Number

  • 134357-41-8

FDA UNII

  • Q4GRZ3MI7E

System Generated Number

  • 0134357418

Structure Descriptors

InChI

1S/C37H59NO11/c1-8-19(4)30(41)48-29-27(40)26-20(17-38-16-18(3)10-11-24(38)34(26,7)44)21-15-35-28(36(21,29)45)22(39)14-23-32(35,5)13-12-25(37(23,46)49-35)47-31(42)33(6,43)9-2/h18-29,39-40,43-46H,8-17H2,1-7H3/t18-,19+,20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,32-,33+,34+,35+,36-,37-/m0/s1

InChIKey

JOBMMOBXVRRLOS-PRIJCJNKSA-N

Smiles

CC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@H]2[C@@H](CN3C[C@@H](C)CC[C@H]3[C@@]2(C)O)[C@@H]4C[C@]56O[C@]7(O)[C@H](CC[C@@]5(C)[C@@H]7C[C@@H](O)[C@H]6[C@]14O)OC(=O)[C@](C)(O)CC