(3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxytetradecanoic acid
데이터를 보충하는 중입니다. 잠시 후 페이지를 새로 고치면 최신 내용을 볼 수 있습니다
기본 정보
- CAS
30657-76-2- 표준 SMILES
CCC[C@@H](CCCCCCC[C@H](O)CC(=O)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O- InChIKey
YGDXIMXWVFTBGT-AVEKXARDSA-N- 분자식
- C44H78O26
- 평균 분자량
- 1,023.1 g/mol
- 단동위원소 질량
- 1,022.47813259
개요
Pharbitic acid C has been reported in Ipomoea nil with data available.
이름 및 식별자
- 우선 이름
- (3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxytetradecanoic acid
- IUPAC
- (3S,11S)-11-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3-hydroxytetradecanoic acid
- 영어명
- (3S,11S)-3-Hydroxy-11-[[6-O-(α-L-rhamnopyranosyl)-2-O-[2-O-[4-O-(6-deoxy-β-D-glucopyranosyl)-α-L-rhamnopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]tetradecanoic acid
- 분자식
- C44H78O26
- 분자량
- 1023.07
이름 및 동의어
Pharbitic acid C(3S,11S)-3-Hydroxy-11-[[6-O-(α-L-rhamnopyranosyl)-2-O-[2-O-[4-O-(6-deoxy-β-D-glucopyranosyl)-α-L-rhamnopyranosyl]-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]tetradecanoic acidTetradecanoic acid, 11-[(O-6-deoxy-β-D-glucopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-3-hydroxy- (8CI,9CI)
데이터베이스 식별자
- CAS
30657-76-2- PubChem CID
- 21629992
- Nikkaji
- J350.667C
물성
구조 계산 물성보충 중
- XLogP
- -4.2
- 극성 표면적
- 413 Ų
- 수소 결합 공여자 수
- 15
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 70
- 형식 전하
- 0
- 복잡도
- 1,540
물리화학적 성질
- 끓는 점
- 1161.6 · 1161.6±65.0 °C(Predicted)
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.38 · 4.38±0.10(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…