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Substance Name: Lantadene A
RN: 467-81-2
UNII: 9SK62WCU1W
InChIKey: KCLIRHUTOPOHKJ-LSZVMECJSA-N

Note

  • Toxic principle, triterpene acid from Lantana camara.

Molecular Formula

  • C35-H52-O5

Molecular Weight

  • 552.7908
 
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Names and Synonyms

Results Name

  • Lantadene A

Name of Substance

  • Lantadene A
  • Rehmannic acid

Synonyms

  • 22-((2-Methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid, 22-beta(Z)-
  • 22-beta-Angeloyloxyoleanolic acid
  • HSDB 3503
  • Lantadene A
  • Olean-12-en-28-oic acid, 22-((2-methyl-1-oxo-2-butenyl)oxy)-3-oxo-, (22beta(Z))-
  • Olean-12-en-28-oic acid, 22beta-hydroxy-3-oxo-, 2-methylcrotonate, (Z)-
  • Rehmannic acid
  • UNII-9SK62WCU1W

Systematic Names

  • 22-((2-Methyl-1-oxo-2-butenyl)oxy)-3-oxo-olean-12-en-28-oic acid, (22beta)
  • Olean-12-en-28-oic acid, 22-beta-hydroxy-3-oxo-, 2-methylcrotonate, (Z)-

Registry Numbers

CAS Registry Number

  • 467-81-2

FDA UNII

  • 9SK62WCU1W

System Generated Number

  • 0000467812

Structure Descriptors

InChI

1S/C35H52O5/c1-10-21(2)28(37)40-27-20-30(3,4)19-23-22-11-12-25-32(7)15-14-26(36)31(5,6)24(32)13-16-34(25,9)33(22,8)17-18-35(23,27)29(38)39/h10-11,23-25,27H,12-20H2,1-9H3,(H,38,39)/b21-10-/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1

InChIKey

KCLIRHUTOPOHKJ-LSZVMECJSA-N

Smiles

[C@H]1(OC(=O)/C(=C\C)C)[C@]2([C@H](C3=CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]2[C@@]4(CCC(=O)C2(C)C)C)C)CC(C1)(C)C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
domestic animals - goat/sheep LDLo oral 65mg/kg (65mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

LIVER: "JAUNDICE, OTHER OR UNCLASSIFIED"

GASTROINTESTINAL: DECREASED MOTILITY OR CONSTIPATION
Australian Veterinary Journal. Vol. 53, Pg. 230, 1977.