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Substance Name: Diacetyl-2,16 cucurbitacine (E)
RN: 26321-61-9
InChIKey: QIEJMVVHVJMCHQ-PKSWVVKOSA-N

Molecular Formula

  • C36-H48-O10

Molecular Weight

  • 640.765
 
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Names and Synonyms

Results Name

  • Diacetyl-2,16 cucurbitacine (E)

Synonyms

  • 3-08-00-04378 (Beilstein Handbook Reference)
  • BRN 3193315
  • Diacetyl-2,16 cucurbitacine (E)

Systematic Name

  • 19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16-alpha,20,25-tetrahydroxy-, 2,16-alpha,25-triacetate

Registry Numbers

CAS Registry Number

  • 26321-61-9

System Generated Number

  • 0026321619

Structure Descriptors

InChI

1S/C36H48O10/c1-19(37)44-24-16-23-22(32(6,7)30(24)42)12-13-26-33(8)17-25(45-20(2)38)29(34(33,9)18-28(41)35(23,26)10)36(11,43)27(40)14-15-31(4,5)46-21(3)39/h12,14-16,23,25-26,29,43H,13,17-18H2,1-11H3/b15-14+/t23-,25-,26+,29+,33+,34-,35+,36+/m1/s1

InChIKey

QIEJMVVHVJMCHQ-PKSWVVKOSA-N

Smiles

C1(C(=C[C@H]2[C@@]3(C(C[C@@]4([C@H]([C@@H](C[C@@]4([C@@H]3CC=C2C1(C)C)C)OC(=O)C)[C@@](C(\C=C\C(C)(C)OC(=O)C)=O)(C)O)C)=O)C)OC(=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 75mg/kg (75mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 459, 1969.