기본 정보
- CAS
861691-37-4- 표준 SMILES
O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)cc(O)c12- InChIKey
QQBFHNKJGBCSLG-KLYXJHKJSA-N- 분자식
- C27H30O16
- 평균 분자량
- 610.5 g/mol
- 단동위원소 질량
- 610.15338487
개요
2''-O-beta-L-galactopyranosylorientin has been reported in Trollius ledebouri with data available.
이름 및 식별자
- 우선 이름
- 8-((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
- IUPAC
- 8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
- 영어명
- 2-(3,4-Dihydroxyphenyl)-8-(2-O-beta-L-galactopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-Benzopyran-4-one
- 분자식
- C27H30O16
- 분자량
- 610.52
이름 및 동의어
861691-37-42"-O-beta-L-galactopyranosylorientin8-((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one2''-O-beta-L-galactopyranosylorientinorb1301559orb3139959EBC-6174608-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-oneMS-30702PD165958T57138-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
이름 더 보기
2"2"-O-β-L-Galorientin2''-O-β-L-Galorientin-nitrilotriethanol 99+%Orientin 2''-galactoside2''-O-Beta-L-Galorientin-O-rhamnosyl icariside IIOrientin 2``-galactoside-RMOrientin-2''-O-β-L-galactosideOrientin 2''-O-β-L-galactoside
데이터베이스 식별자
- CAS
861691-37-4- PubChem CID
- 97301495
- Nikkaji
- J2.202.460D
물성
구조 계산 물성
- XLogP
- -1.7
- 극성 표면적
- 277 Ų
- 수소 결합 공여자 수
- 11
- 수소 결합 수용자 수
- 16
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 녹는점
- 218 · 218-220℃
- 끓는 점
- 988.9 · 988.9±65.0 °C(Predicted)
- 밀도
- 1.87 · 1.87
- 용해도
- Soluble in DMSO; sparingly soluble in methanol;
- 산도 계수 (pKa)
- 6.19 · 6.19±0.40(Predicted)
- 물리적 상태
- 가루
- 색상
- 연노랑
- 수용성
- 물에 약간 용해됨
- 주요 응용
- 음식 및 음료
- InChIKey
- QQBFHNKJGBCSLG-KLYXJHKJSA-N
- SMILES
- O1[C@@H]([C@H]([C@@H]([C@@H]([C@@H]1CO)O)O)O)O[C@H]2[C@@H](O[C@@H]([C@H]([C@@H]2O)O)CO)c3c4c(c(cc3O)O)C(=O)C=C(O4)c5cc(c(cc5)O)O
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
공급사100 곳
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