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Substance Name: A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester
RN: 5573-15-9
InChIKey: KLDHTSBPVUVXQQ-SBSPXKCJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H46-O3

Molecular Weight

  • 466.701
 
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Names and Synonyms

Synonym

  • Methyl 11-oxo-18-alpha-A-neo-oleana-3,12-dien-30-oate

Systematic Name

  • A-Neo-18-alpha-oleana-3,12-dien-30-oic acid, 11-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 5573-15-9

System Generated Number

  • 0005573159

Structure Descriptors

InChI

1S/C31H46O3/c1-19(2)20-9-11-29(5)21(20)10-12-31(7)25(29)24(32)17-22-23-18-28(4,26(33)34-8)14-13-27(23,3)15-16-30(22,31)6/h17,19,23,25H,9-16,18H2,1-8H3/t23-,25-,27-,28+,29+,30-,31-/m1/s1

InChIKey

KLDHTSBPVUVXQQ-SBSPXKCJSA-N

Smiles

C12=C(CC[C@]1(C)[C@@H]1[C@](CC2)(C)[C@@]2(C([C@@H]3[C@@](CC[C@@](C3)(C(OC)=O)C)(CC2)C)=CC1=O)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 18, Pg. 168, 1966.