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Toosendanin

HCID 9851101
노트반응

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

CAS
58812-37-6
표준 SMILES
CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]321
InChIKey
NAHTXVIXCMUDLF-RFNFAWMESA-N
분자식
C30H38O11
평균 분자량
574.623 g/mol
단동위원소 질량
574.24141204

이름 및 식별자

우선 이름
Toosendanin
IUPAC
(1S,3R,4aR,6R,6aS,6bS,7aR,9S,9aR,10R,11aR,11bS,14R)-9-(Furan-3-yl)-1,6,14-trihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho[1',2':6,7]indeno[1,7a-b]oxirene-3,10-diyl diacetate
영어명
Toosendanin
분자식
C30H38O11
분자량
574.62

이름 및 동의어

ChuanliansuToosendaniTOOSENDANINToosendaninrToosendan extractToosendan Fructus。28-DeacetylsendaninToosendanin USP/EP/BP12-AcetoxyaMoorastatinToosendanin 58812-37-6

데이터베이스 식별자

CAS
58812-37-6
PubChem CID
9851101
DTXSID
DTXSID00974333
ChEMBL
CHEMBL503044
ChEBI
CHEBI:192461
EC Number
683-199-2
Nikkaji
J612.432A

물성

물리화학적 성질

녹는점
170 · 170-175°C
끓는 점
555.97 °C · 555.97°C (rough estimate)
밀도
1.2084 · 1.2084 (rough estimate)
굴절률
1.597 · 1.5970 (estimate)
저장 조건
Refrigerator
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
산도 계수 (pKa)
12.15 · 12.15±0.70(Predicted)
색상
흰색에서 옅은 베이지까지
InChIKey
NAHTXVIXCMUDLF-VJLDGHPTNA-N
SMILES
C[C@@]1([C@H]2OC(C)=O)[C@]3([C@]([H])(O3)C[C@H]1C4=COC=C4)[C@]5(C)[C@H](O)C[C@@]6([H])[C@@](C)([C@@H]7O)[C@H](OC(C)=O)C[C@H](O)[C@]6(CO7)[C@@]5([H])C2=O

안전 및 규제

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

안전 데이터

wgk
WGK 3
HS 번호
29389090
safety_code
24/25
Hazard Classifications
Acute Tox. 3 Oral
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 3건

개요Fructus Meliae Toosendan (chuan lian zi), the fruit of Melia toosendan Sieb. Et Zucc, is mainly produced in Sichuan, Hubei, Henan, and Hunan province in China . Toosendanin is a tetracyclic triterpene compound extracted from fructus toosendan. It is an ascaridole agent and showed anti-botulinum, antibacterial, anticancer, and anti-inflammatory effects. It is also a neuromuscular blocking agent.

역사Toosendanin is the main chemical composition of the fructus toosendan. Researches on this compound could date back to 1953. Toosendanin has been named in 1955, while its structure was identified 20 years later by mass spectrometry. Toosendanin is a triterpenoid derivative containing a β-substituted furan ring . A new synthetic strategy is put forth allowing access to a 4-acetoxy CD fragment analogue of toosendanin, which was achieved from mesityl oxide and acetylacetone in 14 steps in 2009 . The anti-parasite of toosendanin was reported in 1971. In 1980, it was identified as a selective neuromuscular blocking agent that acts on neuromuscular junction . The anti-botulinum effect of toosendanin was discovered in 1982 . In recent years, it is also observed that toosendanin can induce differentiation and apoptosis . Toosendanin could inhibit the growth of feeding larvae and insects. It has been used as pollution-free, no residue of botanical insecticides for the production of fruits and vegetables in China .

용도Toosendanin is a triterpenoid derivative, acts as a novel agonist of L-type Ca2+ channels in neonatal rat ventricular cells.

공급사100 곳

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成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]

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