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Substance Name: Acospectoside A
RN: 31451-12-4
InChIKey: HATHCGZLFZKPMV-JMKMTXIBSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C38-H58-O15

Molecular Weight

  • 754.861
 
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Names and Synonyms

  • Acospectoside A

Registry Numbers

CAS Registry Number

  • 31451-12-4

System Generated Number

  • 0031451124

Structure Descriptors

InChI

1S/C38H58O15/c1-17-32(53-34-30(44)29(43)28(42)25(15-39)52-34)33(47-5)31(45)35(49-17)51-21-13-20-6-7-24-23(37(20,4)26(14-21)50-18(2)40)8-10-36(3)22(9-11-38(24,36)46)19-12-27(41)48-16-19/h12,17,20-26,28-35,39,42-46H,6-11,13-16H2,1-5H3/t17-,20+,21+,22+,23-,24+,25+,26+,28+,29-,30+,31-,32?,33-,34-,35?,36+,37-,38-/m0/s1

InChIKey

HATHCGZLFZKPMV-JMKMTXIBSA-N

Smiles

O([C@H]1[C@@]2([C@H]3CC[C@@]4([C@]([C@@H]3CC[C@@H]2C[C@H](C1)O[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O[C@H]1[C@H](O)[C@H]([C@@H]([C@H](O1)CO)O)O)OC)O)(O)CC[C@@H]4C1=CC(=O)OC1)C)C)C(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 1806ug/kg (1.806mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1029, 1970.