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Substance Name: Bufotalin 3-acetate
RN: 4029-69-0
UNII: 69UUG5050T
InChIKey: NHHVQEFHQTULER-BJNYOQPHSA-N

Molecular Formula

  • C28-H38-O7

Molecular Weight

  • 486.6012
 
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Names and Synonyms

Name of Substance

  • Bufotalin 3-acetate

Synonyms

  • 3-O-Acetylbufotalin
  • 3beta,16beta-Diacetoxy-14-hydroxy-5beta-bufa-20,22-dienolide
  • BUFA-20,22-dienolide, 3,16-bis(acetyloxy)-14-hydroxy-, (3beta,5beta,16beta)-
  • Bufotalin 3-acetate
  • Bufotalin 3-acetate [MI]
  • NSC-135689
  • UNII-69UUG5050T

Registry Numbers

CAS Registry Number

  • 4029-69-0

FDA UNII

  • 69UUG5050T

System Generated Number

  • 0004029690

Structure Descriptors

InChI

1S/C28H38O7/c1-16(29)34-20-9-11-26(3)19(13-20)6-7-22-21(26)10-12-27(4)25(18-5-8-24(31)33-15-18)23(35-17(2)30)14-28(22,27)32/h5,8,15,19-23,25,32H,6-7,9-14H2,1-4H3/t19-,20+,21+,22-,23+,25+,26+,27-,28+/m1/s1

InChIKey

NHHVQEFHQTULER-BJNYOQPHSA-N

Smiles

CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4c5ccc(=O)oc5)OC(=O)C)O)C)C