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Substance Name: Primulic acid
RN: 53078-36-7
UNII: 9L8V879R7J
InChIKey: LDPKDIVFHXKSCE-GVIDDALXSA-N

Molecular Formula

  • C54-H88-O23

Molecular Weight

  • 1105.27
 
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Names and Synonyms

Name of Substance

  • Primulic acid

Synonyms

  • 4-18-00-05150 (Beilstein Handbook Reference)
  • BRN 0078553
  • NSC 409073
  • Primulasaure
  • Primulasaure [German]
  • Primulic acid
  • UNII-9L8V879R7J

Systematic Names

  • beta-D-Galactopyranosiduronic acid, (3beta,16alpha)-16,28-dihydroxyolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-beta-D-galactopyranosyl-(1- 4))- (9CI)
  • Primulic acid

Registry Numbers

CAS Registry Number

  • 53078-36-7

FDA UNII

  • 9L8V879R7J

System Generated Number

  • 0053078367

Structure Descriptors

InChI

1S/C54H88O23/c1-22-31(58)34(61)38(65)46(71-22)76-42-40(67)41(75-47-39(66)36(63)33(60)26(73-47)20-70-45-37(64)35(62)32(59)25(19-55)72-45)43(44(68)69)77-48(42)74-30-12-13-51(6)27(50(30,4)5)11-14-52(7)28(51)10-9-23-24-17-49(2,3)15-16-54(24,21-56)29(57)18-53(23,52)8/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27-,28+,29?,30-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43-,45+,46-,47-,48+,51-,52+,53+,54+/m0/s1

InChIKey

LDPKDIVFHXKSCE-GVIDDALXSA-N

Smiles

C12=CC[C@@H]3[C@@]4(CC[C@H](O[C@H]5[C@@H]([C@@H](O)[C@H]([C@H](O5)C(=O)O)O[C@@H]5O[C@H](CO[C@H]6[C@@H]([C@H]([C@@H](O)[C@H](O6)CO)O)O)[C@H]([C@@H]([C@H]5O)O)O)O[C@H]5[C@@H]([C@H](O)[C@H]([C@@H](O5)C)O)O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@@]1(C[C@@H](O)[C@@]1(CCC(C[C@@H]21)(C)C)CO)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 15mg/kg (15mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
mouse LDLo oral 200mg/kg (200mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.
mouse LDLo subcutaneous 30mg/kg (30mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1289, 1935.