Lamioside
기본 정보
- CAS
19228-19-4- 표준 SMILES
CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C(C)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21- InChIKey
KPUSIQDGYABESP-CJHMEAONSA-N- 분자식
- C18H28O11
- 평균 분자량
- 420.4 g/mol
개요
Lamioside is a terpene glycoside.
이름 및 식별자
- 우선 이름
- Lamioside
- IUPAC
- [(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
- 영어명
- (1S)-1α-(β-D-Glucopyranosyloxy)-4,7-dimethyl-5,6,7,7aα-tetrahydrocyclopenta[c]pyran-4aα,5α,7α(1H)-triol 7-acetate
- 분자식
- C18H28O11
- 분자량
- 420.41
이름 및 동의어
Lamioside[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate19228-19-4((1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-4,7-dimethyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,5,6,7a-tetrahydrocyclopenta(c)pyran-7-yl) acetate(1S,4AR,5R,7S,7as)-4a,5-dihydroxy-4,7-dimethyl-1-(((2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-7-yl acetic acid(1S,4AR,5R,7S,7as)-4a,5-dihydroxy-4,7-dimethyl-1-{[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-7-yl acetic acidRefChem:152193CHEBI:6365SCHEMBL9695651LMPR0102070018Q27107166(1S)-1α-(β-D-Glucopyranosyloxy)-4,7-dimethyl-5,6,7,7aα-tetrahydrocyclopenta[c]pyran-4aα,5α,7α(1H)-triol 7-acetate
이름 더 보기
[(1S)-7α-Acetoxy-1,4a,5,6,7,7aα-hexahydro-4aα,5α-dihydroxy-4,7-dimethylcyclopenta[c]pyran-1-yl]β-D-glucopyranoside
데이터베이스 식별자
- CAS
19228-19-4- ChEBI
CHEBI:6365- Nikkaji
- J15.898D
물성
구조 계산 물성
- XLogP
- -2.8
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 668
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
물리화학적 성질
- 끓는 점
- 610.066 · 610.066±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.54 · 1.540±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 11.898 · 11.898±0.70(predicted)
관련 반응
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