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Substance Name: 3-Acetylcevin
RN: 28111-34-4
InChIKey: VYZRUGATWIYMKD-ZJOPWFDKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H45-N-O9

Molecular Weight

  • 551.672
 
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Names and Synonyms

Results Name

  • 3-Acetylcevin

Synonyms

  • 3-Acetylcevin
  • 4,9-Epoxycevane-3-alpha,4-beta,12,14,16-beta,17,20-heptol 3-acetate
  • Acetylcevin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 28111-34-4

System Generated Number

  • 0028111344

Structure Descriptors

InChI

1S/C29H45NO9/c1-15-5-8-20-24(4,33)28(36)19(13-30(20)12-15)26(35)14-27-18(25(26,34)11-21(28)32)7-6-17-23(27,3)10-9-22(38-16(2)31)29(17,37)39-27/h15,17-22,32-37H,5-14H2,1-4H3/t15-,17?,18?,19?,20-,21-,22+,23-,24+,25+,26+,27+,28-,29-/m0/s1

InChIKey

VYZRUGATWIYMKD-ZJOPWFDKSA-N

Smiles

C1[C@@]23[C@@H]([C@@]4(C[C@H](O)[C@@]5([C@@H]([C@@]14O)C[N@@]1C[C@@H](C)CC[C@@H]1[C@@]5(C)O)O)O)CC[C@@H]1[C@@]2(CC[C@H]([C@@]1(O3)O)OC(C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 150mg/kg (150mg/kg)   Pharmazie. Vol. 12, Pg. 582, 1957.