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Substance Name: Diacetyl-2,16 cucurbitacine (D)
RN: 3520-11-4
InChIKey: LBTYUHBOOBONKC-YHCBCLHRSA-N

Molecular Formula

  • C34-H48-O9

Molecular Weight

  • 600.744
 
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Names and Synonyms

Results Name

  • Diacetyl-2,16 cucurbitacine (D)

Synonyms

  • 4-08-00-03723 (Beilstein Handbook Reference)
  • BRN 3190816
  • Diacetyl-2,16 cucurbitacine (D)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 3520-11-4

Other Registry Number

  • 28973-62-8

System Generated Number

  • 0003520114

Structure Descriptors

InChI

1S/C34H48O9/c1-18(35)42-22-15-21-20(30(5,6)28(22)39)11-12-24-31(7)16-23(43-19(2)36)27(32(31,8)17-26(38)33(21,24)9)34(10,41)25(37)13-14-29(3,4)40/h11,13-14,21-24,27,40-41H,12,15-17H2,1-10H3/b14-13+/t21-,22+,23+,24+,27+,31+,32-,33+,34+/m1/s1

InChIKey

LBTYUHBOOBONKC-YHCBCLHRSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 200mg/kg (200mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 459, 1969.