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Substance Name: Secalonic acid
RN: 56283-72-8
InChIKey: NFZJAYYORNVZNI-UHFFFAOYSA-N

Note

  • Consists of 4 acids (A,C,D,E) differing only in their stereochemistry.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H30-O14

Molecular Weight

  • 638.575
 
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Names and Synonyms

Name of Substance

  • Secalonic acid

Synonym

  • Secalonic acid

Systematic Name

  • Secalonic acid

Registry Numbers

CAS Registry Number

  • 56283-72-8

System Generated Number

  • 0056283728

Structure Descriptors

InChI

1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,35-40H,9-10H2,1-4H3

InChIKey

NFZJAYYORNVZNI-UHFFFAOYSA-N

Smiles

CC1CC(=O)C2=C(c3c(ccc(c3O)c4ccc5c(c4O)C(=C6C(=O)CC(C(C6(O5)C(=O)OC)O)C)O)OC2(C1O)C(=O)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 15600ug/kg (15.6mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 233, 1952.