기본 정보
- CAS
560-53-2- 표준 SMILES
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
FHIREUBIEIPPMC-SADZTDHOSA-N- 분자식
- C36H54O14
- 평균 분자량
- 710.8 g/mol
- 단동위원소 질량
- 710.35135639
개요
K-Strophanthin-beta is a steroid aldehyde and a cardenolide glycoside.
이름 및 식별자
- 우선 이름
- K-strophanthin-beta
- IUPAC
- (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- 현지명
- K-스트로판틴-베타
- 영어명
- K-strophanthin-beta
- 분자식
- C36H54O14
- 분자량
- 710.81
이름 및 동의어
beta-k-Strophanthink-Strophanthin-betaStrophosidK935S3T1OE560-53-2DTXSID00971387NSC-4320NSC-7670RefChem:924030DTXCID901478287209-210-9Strophanthin K
이름 더 보기
K-스트로판틴-베타STROPHANTHINNsc4320.beta.-K-StrophanthinStrophanthin K (crystalline).beta.-Strophanthobioside, strophanthidin-33β-[(4-O-β-D-Glucopyranosyl-3-O-methyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5β-card-20(22)-enolide(3β,5β)-3-{[2,6-dideoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-5,14-dihydroxy-19-oxocard-20(22)-enolideCard-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-5.beta.-Card-20(22)-enolide, 3.beta.-[(2,6-dideoxy-4-o-.beta.-D-glucopyranosyl-3-o-methyl-.beta.-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-
물성
구조 계산 물성
- XLogP
- -0.8
- 극성 표면적
- 211 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,330
물리화학적 성질
- 녹는점
- 195 °C · 195°C
- 끓는 점
- 628.39 °C · 628.39°C (rough estimate)
- 밀도
- 1.1625 · 1.1625 (rough estimate)
- 굴절률
- 1.613 · 1.6130 (estimate)
- 산도 계수 (pKa)
- 12.89 · 12.89±0.70(Predicted)
화학 및 산업
응용 분야
개요Strophanthin is made up of a mixture of glycosides, mainly K-strophanthin- β, 3β,5,14-trihydroxy-10-oxo-5β-card-20(22)-enolide-3-D-cymaro-β-D-glycoside, and K-strophanthoside, 3β,5,14-trihydroxy-10-oxo-5β-card-20(22)-enolide-3-Dcymaro- β-D-gluco-α-D-glycozide. It is isolated primarily from the family Strophantus kombe.
용도Strophanthin is used in severe cardiovascular insufficiency, in particular after myocardial infarction, for chronic cardiac insufficiency, cardiac decompensation, supraventricular tachycardia, and ventricular arrhythmia.
공급사1 곳
TargetMol中国（陶术生物）15002134094 · [email protected]
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