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Substance Name: Valtrates (combination)
RN: 78769-65-0
InChIKey: WWBZOOZYVCLEHC-JXDKOEASSA-N

Note

  • From Valerianaceae species; combination of valtratum, acevaltratum & didrovaltratum.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C22-H30-O8

Molecular Weight

  • 1327.4646
 
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Names and Synonyms

Name of Substance

  • Valtrates (combination)

Synonym

  • Isovaltratum

Systematic Name

  • Valmane

Registry Numbers

CAS Registry Number

  • 78769-65-0

System Generated Number

  • 0078769650

Structure Descriptors

InChI

1S/C24H32O10.C22H30O8.C22H32O8/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26;1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4;1-13(2)9-18(24)26-7-5-14(3)10-19(25)30-21-20-16(6-8-27-21)11-17(29-15(4)23)22(20)12-28-22/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3;8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3;6,8,13-14,16-17,20-21H,5,7,9-12H2,1-4H3/t18-,21+,22-,24?;17-,20+,21-,22?;14?,16-,17+,20-,21+,22?/m001/s1

InChIKey

WWBZOOZYVCLEHC-JXDKOEASSA-N

Smiles

CC(C)CC(=O)OCCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C23CO3)OC(=O)C)C=CO1.CC(C)CC(=O)O[C@H]1C=C2[C@@H](C13CO3)[C@@H](OC=C2COC(=O)C)OC(=O)CC(C)C.CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H](C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 251, 1982.