리리오페무스카리베일리사포닌C
Saponin C, from Liriope muscari
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기본 정보
- CAS
130551-41-6- 표준 SMILES
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C- InChIKey
XTGHTMMHUVFPBQ-ZUTFNMMGSA-N- 분자식
- C44H70O17
- 평균 분자량
- 871 g/mol
- 단동위원소 질량
- 870.46130076
이름 및 식별자
- 우선 이름
- Saponin C, from Liriope muscari
- IUPAC
- (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
- 현지명
- 리리오페무스카리베일리사포닌C
- 영어명
- Liriope Muscari baily Saponins C
- 분자식
- C44H70O17
- 분자량
- 871.02
이름 및 동의어
Saponin C, from Liriope muscari130551-41-6Liriope muscari baily SaponinsMFCD20487833orb1689865lirioipe muscari baily saponin CLiriope-muscari-baily-saponins-CSCHEMBL30102384HY-N5055AKOS03751450025(R)-DT-13MS-31613
이름 더 보기
리리오페무스카리베일리사포닌CLiriope muscari Saponin C3)]-6-deoxy-beta-D-galactopyranosideβ-D-Galactopyranoside, (1β,3β,25R)-3-hydroxyspirost-5-en-1-yl O-β-D-glucopyranosyl-(1→2)-O-[β-D-xylopyranosyl-(1→3)]-6-deoxy-(1beta,3beta,25R)-3-Hydroxyspirost-5-en-1-yl O-beta-D-glucopyranosyl-(1-2)-O-[beta-D-xylopyranosyl-(1-3)]-6-deoxy-beta-D-galactopyranoside(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-5-Hydroxy-2-(((4R,5'R,6R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-4-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6-yl)oxy)-6-methyl-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-5-Hydroxy-2-(((4R,5'R,6R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-4-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6-yl)oxy)-6-methyl-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CS-0032205T5794(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol25(R)-ruscogenin 1-O-[beta-D-glucopyranosyl (1->2)] [beta-D-xylopyranosyl (1->3)] beta-D-fucopyranoside25(R)-ruscogenin-1-O-[beta-D-glucopyranosyl(1->2)][beta-D-xylopyranosyl(1->3)]-beta-D-fucopyranoside25(R)-ruscogenin-1-O-beta-D-glucopyranosyl(1->2)[beta-D-xylopyranosyl(1->3)]-beta-D-fucopyranoside
데이터베이스 식별자
- CAS
130551-41-6- PubChem CID
- 11007422
- Nikkaji
- J1.448.405A
물성
구조 계산 물성보충 중
- XLogP
- 0.5
- 극성 표면적
- 256 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 1,600
물리화학적 성질
- 녹는점
- 292 · 292-295℃
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 용해도
- Soluble in methanol and pyridine
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 12.89 · 12.89±0.70(Predicted)
- 색상
- 하얀색
- InChIKey
- XTGHTMMHUVFPBQ-ZUTFNMMGSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Liriope Muscari Saponin C is isolated from Dwarf lillytruf tuber and currently among active research drugs for its several potential effects. It has been reported for its multiple pharmacological actions.
관련 반응
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