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Substance Name: Cucurbitacin C
RN: 5988-76-1
UNII: 938A8MM70H
InChIKey: DGIGXLXLGBAJJN-XOMTXOPZSA-N

Molecular Formula

  • C32-H48-O8

Molecular Weight

  • 560.7232
 
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Names and Synonyms

Name of Substance

  • Cucurbitacin C

Synonyms

  • 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-11,22-dione, 3-beta,16-alpha,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate
  • 19-Nor-9beta,10alpha-lanosta-5,23-diene-11,22-dione, 3beta,16alpha,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate
  • 19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3beta,9beta,10alpha,16alpha,23E)-
  • 25-(Acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-19-norlanosta-5,23-diene-11,22-dione
  • Cucurbitacin C
  • Cucurbitacine (C)
  • HSDB 3477
  • NSC 94744
  • UNII-938A8MM70H

Systematic Names

  • 19-Nor-9-beta,10-alpha-lanosta-5,23-diene-11,22-dione, 3-beta,16-alpha,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate
  • 19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3beta,9beta,10alpha,16alpha,23E)- (9CI)

Registry Numbers

CAS Registry Number

  • 5988-76-1

FDA UNII

  • 938A8MM70H

Other Registry Numbers

  • 20137-42-2
  • 22366-01-4
  • 26419-36-3
  • 47815-08-7

System Generated Number

  • 0005988761

Structure Descriptors

InChI

1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23-,26+,29+,30-,31+,32+/m1/s1

InChIKey

DGIGXLXLGBAJJN-XOMTXOPZSA-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](CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 100mg/kg (100mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 459, 1969.