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Merck
CN

53653

(−)-α-Santonin

analytical standard

Synonym(s):

(3S,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)dione, Semenen

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About This Item

Empirical Formula (Hill Notation):
C15H18O3
CAS Number:
481-06-1
Molecular Weight:
246.30
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
329757965
EC Number:
207-560-7
Beilstein/REAXYS Number:
89489
MDL number:
MFCD00135865

Key Documents

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InChI

1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1

InChI key

XJHDMGJURBVLLE-BOCCBSBMSA-N

SMILES string

C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O

grade

analytical standard

assay

≥95.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

impurities

≤5.0% water

mp

172-173 °C (lit.)

application(s)

cleaning products
cosmetics
food and beverages
personal care

format

neat

storage temp.

2-8°C

Quality Level

100

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

农药列管产品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ5098
BCCF8112
BCCC9958
BCCC7959
BCCC2284

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Seung Hyun Kim et al.
Archives of pharmacal research, 31(3), 300-304 (2008-04-15)
DAAS is the diacetoxy acetal derivative of a-santonin and induces HL-60 cell differentiation into granulocytes. In this report, we investigated the structure-activity relationship (SAR) of DAAS derivatives in the differentiation of human HL-60 leukemia cells. Although its derivatives themselves had
Takao Yamaura
Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan, 131(3), 395-400 (2011-03-05)
Soon after its foundation in 1919, Nippon Shinyaku Co., Ltd began to develop the domestic production of Santonin, an anthelmintic agent, which, until then, had been totally imported from Russia. In 1927, Artemisia maritima ssp. monogyna was introduced from Europe
Lin Yang et al.
Biotechnology letters, 27(11), 793-797 (2005-08-09)
Cell suspension cultures of five plants (Catharanthus roseus, Ginkgo biloba, Platycodon grandiflorum, Taxus cuspidata, Phytolacca asinosa) were employed to bioconvert the eudesmanolide compound, alpha-santonin. Reactions occurring were hydroxylation (C-1, C-11 and C-15), reduction of the double bond [1(2) or 3(4)]
Lin Yang et al.
Natural product research, 22(6), 499-506 (2008-04-17)
The fungus, Absidia coerulea was employed to bioconvert tetrahydro-alpha-santonins, 1,2,4alpha,5alpha-tetrahydro-alpha-santonin (1), and its 4-epimer (2), from which 10 products (3-12) were obtained. Furthermore, their structures were determined, based on their chemical and spectroscopic data analyses. Among them, 3-5, 7, 9
Xing Chen et al.
The journal of physical chemistry. A, 115(26), 7815-7822 (2011-06-02)
The CASSCF and CASPT2 methodologies have been used to explore the potential energy surfaces of lumisantonin in the ground and low-lying triplet states along the photoisomerization pathways. Calculations indicate that the (1)(nπ*) state is the accessible low-lying singlet state with
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