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Substance Name: Cucurbitacin A
RN: 6040-19-3
UNII: 83859MTO77
InChIKey: IHTCCHVMPGDDSL-IVNGUWCNSA-N

Molecular Formula

  • C32-H46-O9

Molecular Weight

  • 574.7064
 
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Names and Synonyms

Results Name

  • Cucurbitacin A

Name of Substance

  • Cucurbitacin A

Synonyms

  • Cucurbitacin A
  • NSC 94743
  • UNII-83859MTO77

Systematic Name

  • 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2beta,9beta,10alpha,16alpha,23E)-

Registry Numbers

CAS Registry Number

  • 6040-19-3

FDA UNII

  • 83859MTO77

System Generated Number

  • 0006040193

Structure Descriptors

InChI

1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

InChIKey

IHTCCHVMPGDDSL-IVNGUWCNSA-N

Smiles

CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C