[(2R,6R)-6-[(3R,7R,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate
기본 정보
- CAS
118593-90-1- 표준 SMILES
CC(=O)OC[C@H](C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)CC4=C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C- InChIKey
AWUDYIJPKCHKGI-KFCRRLATSA-N- 분자식
- C35H58O10
- 평균 분자량
- 638.8 g/mol
개요
Mosesin 5 has been reported in Pardachirus marmoratus with data available.
이름 및 식별자
- 우선 이름
- [(2R,6R)-6-[(3R,7R,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate
- IUPAC
- [(2R,6R)-6-[(3R,7R,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptyl] acetate
- 영어명
- [(25R)-26-(Acetyloxy)-3α,12α-dihydroxycholest-4-en-7α-yl] β-D-galactopyranoside
- 분자식
- C35H58O10
- 분자량
- 638.83
이름 및 동의어
Mosesin 5[(25R)-26-(Acetyloxy)-3α,12α-dihydroxycholest-4-en-7α-yl] β-D-galactopyranoside
데이터베이스 식별자
- CAS
118593-90-1- Nikkaji
- J227.904E
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,070
물리화학적 성질
- 끓는 점
- 759.042 · 759.042±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.262 · 1.262±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.899 · 12.899±0.70(predicted)
관련 반응
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