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α-산토닌[(3S,5aR,9bS)-3,3a,4,5,5a,9b-헥사하이드로-3,5a,9트라이메틸나프톨[1,2-b]퓨란-2,8-다이온]

alpha-Santonin

HCID 221071
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
481-06-1
표준 SMILES
CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=CC1=O
InChIKey
XJHDMGJURBVLLE-BOCCBSBMSA-N
분자식
C15H18O3
평균 분자량
246.306 g/mol
단동위원소 질량
246.12559444

이름 및 식별자

우선 이름
alpha-Santonin
IUPAC
(3S,3aS,5aS,9bS)-3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
현지명
α-산토닌[(3S,5aR,9bS)-3,3a,4,5,5a,9b-헥사하이드로-3,5a,9트라이메틸나프톨[1,2-b]퓨란-2,8-다이온]
영어명
Santonin
분자식
C15H18O3
분자량
246.3

이름 및 동의어

α-산토닌[(3S,5aR,9bS)-3,3a,4,5,5a,9b-헥사하이드로-3,5a,9트라이메틸나프톨[1,2-b]퓨란-2,8-다이온]α-santoninALPHA-SANTONIN(-)-Santonin(-)-Santonine(?)-α-SantoninSemenenSANTONINNSC 4900A-SANTONINl-Santonin

데이터베이스 식별자

CAS
481-06-1
PubChem CID
221071
DTXSID
DTXSID7045312
ChEMBL
CHEMBL259254
ChEBI
CHEBI:16363
UNII
1VL8J38ERO
EC Number
207-560-7
Nikkaji
J6.172G

물성

물리화학적 성질

녹는점
172 · 172-173 °C(lit.)
끓는 점
329.3 °C · 329.3°C (rough estimate)
밀도
1.59 · 1.5900
굴절률
-172.5 ° · -172.5 ° (C=2, CHCl3)
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨)
물리적 상태
Solid
색상
흰색에서 황백색까지
수용성
0.2 g/L · 0.2g/L(17.5℃)
Merck
14 · 14,8361
BRN
89489 · 89489
안정성
흡습성
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
InChIKey
XJHDMGJURBVLLE-BOCCBSBMSA-N
SMILES
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
LogP
1.6 · 1.600 (est)
EPA
Santonin (481-06-1)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
LE3150000
ridadr
2811
HS 번호
2932.99.7000
risk_code
22-36/37/38-26/27/28
hazard_code
Xn,Xi,T+
safety_code
22-24/25-45-37-36-28-26
포장분류
II
위험 등급
6.1(a)
기존화학 물질
KE-26605
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 4건

개요Santonin is a lactone compound extracted from the flower bud of Artemisia cina Berg in Compositae, crown daisy chrysanthemum or other plants in Artemisia. It has been recorded in ancient China . Its English name is santonica wormseed, Chinese alias is ‘quhaosu’ and Latin name is Seriphidium cinum (Berg ex Poljak.) Pol-jak. . Santonica wormseed, a variant name for Artemisia cina Berg, is the leaf and anthotaxy of Artemisia cina Berg in sagebrush plants in Compositae. There are more than 100 plus in sagebrush, in which about 30 plus live in China, and parts of them can be used medicinally.Santonica wormseed, used as raw material to extract and manufacture santonin, lives in cold, dry sandy loam. The place of origin is the Southern Central Asia in the former Soviet Union. China introduced the earliest cultivation in Xinjiang, and now it is introduced and cultivated in the North, Northeast and Northwest China. Santonica wormseed mainly contains hispidulin, quercetin and caffeic acid, and its flower contains 1–3.5% α-santonin, 1–3% artemisinin and volatile oil (mainly is 1, 8-cineole) and so on. Leaf also contains a small amount of α-santonin. In addition, it also contains β-cintonin, 3,4,5,7-tetrahydroxy-3-methoxyflavone7- glucoside and aglucone.

역사The study on the chemical properties and structure of santonin was carried out at the end of the nineteenth century all the earliest research works were from the Italian scholars, such as Cannizzaro, Andreocci, Gucci, Francesconi, etc. The chemical structures determined before 1910 were all not exactly correct. Until 1929–1930, British scholars, Clemo, Haworth and Walton, finally determined the exact structure of santonin for the transformation from synthesized santonin into desmotroposanto nin and santonous acid. However, until 1940, there were no reports on structural configuration. Chinese scholars, Huang Minglong et al., basically completed the research work on the structural configuration of santonin in 1951, and the results were proved by Japanese scholars, Abe, Y. and Harukawa et al. in 1954.

용도(-)-Santonin is a sesquiterpene lactone derivative which acts as an anti-pyretic agent when tested with subjects antagonized by haloperidol. Causes a decrease in temperature of mammals.

일반 설명()-α-Santonin is a sesquiterpene lactone. It is found in the genus Artemisia.

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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
염산수산화칼슘

하류 제품

(1S,αS)-1,2,3,4,4a,7-Hexahydro-1β-hydroxy-α,4aα,8-trimethyl-7-oxonaphthalene-2α-acetic acid(3S)-8-Hydroxyimino-3aβ,4,5,5a,8,9bα-hexahydro-3β,5aα,9-trimethylnaphtho[1,2-b]furan-2(3H)-one(3R)-3aβ,5,5a,9bβ-Tetrahydro-3α,5aα,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione

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추가 설명

정의ChEBI: A santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9.