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Substance Name: Cochlioquinone A, (8-alpha)-
RN: 147384-57-4
InChIKey: UWSYUCZPPVXEKW-UDLMDNSSSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C30-H44-O8

Molecular Weight

  • 532.6696
 
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Names and Synonyms

Synonyms

  • (8-alpha)-Cochlioquinone A
  • Epicochlioquinone A

Systematic Name

  • Cochlioquinone A, (8-alpha)-

Registry Numbers

CAS Registry Number

  • 147384-57-4

System Generated Number

  • 0147384574

Structure Descriptors

InChI

1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30-/m0/s1

InChIKey

UWSYUCZPPVXEKW-UDLMDNSSSA-N

Smiles

CC[C@H](C)[C@H]([C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(C)(C)O)C)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 2gm/kg (2000mg/kg)   Journal of Antibiotics. Vol. 49, Pg. 409, 1996.