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Substance Name: 3,4-Diacetylcevin
RN: 24158-21-2
InChIKey: RCNOCCZJZIKCMZ-PSODFFRQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H47-N-O10

Molecular Weight

  • 593.709
 
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Names and Synonyms

Results Name

  • 3,4-Diacetylcevin

Synonyms

  • 3,4-Diacetylcevin
  • 4,9-Epoxycevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol 3,4-diacetate

Systematic Name

  • Cevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy-, 3,4-diacetate

Registry Numbers

CAS Registry Number

  • 24158-21-2

System Generated Number

  • 0024158212

Structure Descriptors

InChI

1S/C31H47NO10/c1-16-6-9-22-26(5,36)30(39)21(14-32(22)13-16)28(38)15-29-20(27(28,37)12-23(30)35)8-7-19-25(29,4)11-10-24(40-17(2)33)31(19,42-29)41-18(3)34/h16,19-24,35-39H,6-15H2,1-5H3/t16-,19?,20?,21?,22-,23-,24+,25-,26+,27+,28+,29+,30-,31-/m0/s1

InChIKey

RCNOCCZJZIKCMZ-PSODFFRQSA-N

Smiles

O1[C@@]23[C@@]4([C@@H](CC[C@@H]2[C@@]2(C[C@H](O)[C@@]5([C@@H]([C@@]2(C3)O)C[N@@]2C[C@@H](C)CC[C@@H]2[C@@]5(C)O)O)O)[C@]1([C@H](OC(C)=O)CC4)OC(C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Pharmazie. Vol. 12, Pg. 582, 1957.