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Substance Name: Germitetrine
RN: 465-75-8
UNII: 13230DE6EK
InChIKey: KBGNYIWYDYVUFP-XDQUZBPMSA-N

Molecular Formula

  • C41-H63-N-O14

Molecular Weight

  • 793.9417
 
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Names and Synonyms

Name of Substance

  • Germitetrine

Synonyms

  • Butanoic acid, 3-(acetyloxy)-2-hydroxy-2-methyl-, (3S,4S,4aS,6R,6aS,6bS,7S,8R,8aR,9S,9aS,12S,15aS,15bS,16aR,16bS)-6-(acetyloxy)docosahydro-4,6b,8,9-tetrahydroxy-9,12,16b-trimethyl-7-((2R)-2-methyl-1-oxobutoxy)-2H-4,16a-epoxybenzo(7,8)fluoreno(2,1-b)q
  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 7-acetate 3-((2S,3R)-3-(acetyloxy)-2-hydroxy-2-methylbutanoate) 15-((2R)-2-methylbutanoate), (3beta,4alpha,7alpha,15alpha,16beta)-
  • Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 7-acetate 3-(3-(acetyloxy)-2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(2S,3R),4alpha,7alpha,15alpha(R),16beta)-
  • Cevane-3beta,4beta,7alpha,14,15alpha,16beta,20-heptol, 4,9-epoxy-, 7-acetate 3-(erythro-(-)-2,3-dihydroxy-2-methylbutyrate 3-acetate) 15-((-)-2-methylbutyrate)
  • Germitetrine
  • UNII-13230DE6EK

Registry Numbers

CAS Registry Number

  • 465-75-8

FDA UNII

  • 13230DE6EK

System Generated Number

  • 0000465758

Structure Descriptors

InChI

1S/C41H63NO14/c1-10-20(3)34(46)55-33-31(45)30-24(18-42-17-19(2)11-12-28(42)38(30,9)49)25-16-39-32(40(25,33)50)26(53-23(6)44)15-27-36(39,7)14-13-29(41(27,51)56-39)54-35(47)37(8,48)21(4)52-22(5)43/h19-21,24-33,45,48-51H,10-18H2,1-9H3/t19-,20+,21+,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,36-,37-,38+,39+,40-,41-/m0/s1

InChIKey

KBGNYIWYDYVUFP-XDQUZBPMSA-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](OC(=O)C)[C@H]6[C@]14O)OC(=O)[C@@](C)(O)[C@@H](C)OC(=O)C