Hederagenin

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Names

[ CAS No. ]:
465-99-6

[ Name ]:
Hederagenin

[Synonym ]:
Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3β)-
(3beta,4alpha)-3,23-Dihydroxyolean-12-en-28-oic acid
(4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-Hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenecarboxylic acid
Hederagenol
Astrantiagenin E
3,23-dihydroxyolean-12-en-28-oic acid
Caulosapogenin
Hederagenic acid
Hederagenin
EINECS 207-369-9
Melanthigenin
3,23-Dihydroxyolean-12-en-28-acid
(3b,4a)-3,23-Dihydroxyolean-12-en-28-oic Acid
23-hydroxyoleanolic acid
(3β)-3,23-Dihydroxyolean-12-en-28-oic acid

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
589.4±50.0 °C at 760 mmHg

[ Melting Point ]:
332 - 334ºC

[ Molecular Formula ]:
C30H48O4

[ Molecular Weight ]:
472.700

[ Flash Point ]:
324.3±26.6 °C

[ Exact Mass ]:
472.355255

[ PSA ]:
77.76000

[ LogP ]:
7.41

[ Vapour Pressure ]:
0.0±3.8 mmHg at 25°C

[ Index of Refraction ]:
1.569

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RJ8948000
CHEMICAL NAME :
Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3-beta,4-alpha)-
CAS REGISTRY NUMBER :
465-99-6
LAST UPDATED :
199806
DATA ITEMS CITED :
1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YAHOA3 Yakhak Hoe Chi. Journal of the Pharmaceutical Society. (Taehan Yakkakhoe, c/o College of Pharmacy, Seoul National Univ., Seoul 151, S. Korea) V.1- 1956(?)- Volume(issue)/page/year: 39,137,1995

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
22-45

Synthetic Route

Precursor & DownStream

Precursor

  • 3-O-β-D-galactopyranosyl-(1->3)-α-L-arabinopyranosylhederagenin 28-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl ester
  • Cauloside A
  • Cauloside D
  • cauloside G
  • 3-O-β-D-glucuronopyranoside of hederagenin
  • Hederacoside C

DownStream

  • 2,7-Dimethylnaphthalene
  • tetramethylbenzene
  • Naphthalene, 1,2,7-trimethyl-
  • 2,9-Dimethylpicene
  • 1,2,6-Trimethylphenanthrene
  • 8-Formyl-1-naphthoic acid
  • 2,2,-Dimethylsuccinate
  • (4aS,6aS,6aS,6bR,8aR,9R,10S,12aS,14bR)-10-acetyloxy-9-(acetyloxymethyl)-2,2,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
  • 7-chloronaphthalen-1-ol

Related Compounds

  • Hederagenin
  • (S)-2-acetamido-6-(diphenyl(p-tolyl)methylamino)hexanoic acid
  • Boc-D-isoGln-Ala-OH
  • 4,5-Difluoroanthranlic acid
  • (3S)-3-((((9H-Fluoren-9-YL)methoxy)carbonyl)amino)-4-methylhexanoicacid
  • (3S)-3-Amino-4-methylhexanoic acid
  • 4-Amino-2-methylpyrimidine-5-carboximidamide hydrochloride
  • (2S,3R,5S)-5-(2,6-Diamino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
  • 3-Fluoro-4-(2-hydroxypropan-2-yl)phenylboronic acid
  • 2-(Azetidin-3-yloxy)acetic acid hydrochloride
  • Methyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetate
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