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Substance Name: Glaucarubol 15-isovalerate
RN: 29428-64-6
InChIKey: GMYKJSSPAJVBRH-ONAYGAPCSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C25-H36-O9

Molecular Weight

  • 480.55
 
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Names and Synonyms

Results Name

  • Glaucarubol 15-isovalerate

Synonyms

  • Glaucarubol-15-isovalerate
  • Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-15-(3-methyl-1-oxobutoxy)-

Systematic Name

  • Isovaleric acid, 4-ester with 1,2,3,3a-beta,4,6a-beta,7,7a-alpha,10,11,11a,11b-alpha-dodecahydro-1-alpha,2-alpha,4-beta,10-alpha,11-beta-pentahydroxy-3-alpha,8,11a-beta-trimethyl-5H-1,11c-beta-(epoxymethano)phenanthro(10,1-bc)pyran-5-one

Registry Numbers

CAS Registry Number

  • 29428-64-6

System Generated Number

  • 0029428646

Structure Descriptors

InChI

1S/C25H36O9/c1-10(2)6-16(27)34-18-17-12(4)19(28)24(31)9-32-25(17)15(33-21(18)30)8-13-11(3)7-14(26)20(29)23(13,5)22(24)25/h7,10,12-15,17-20,22,26,28-29,31H,6,8-9H2,1-5H3/t12-,13+,14+,15-,17-,18-,19-,20-,22+,23-,24+,25?/m1/s1

InChIKey

GMYKJSSPAJVBRH-ONAYGAPCSA-N

Smiles

O[C@H]1[C@@]2(C)[C@@H](C[C@@H]3[C@@]45OC[C@@](O)([C@H](O)[C@@H](C)[C@@H]5[C@H](C(O3)=O)OC(=O)CC(C)C)[C@H]24)C(=C[C@@H]1O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300ug/kg (0.3mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(2), Pg. 176, 1982.