기본 정보
- CAS
508-76-9- 표준 SMILES
CC1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)CC(O)[C@@H]1O- InChIKey
QBILRDAMJUPXCX-PXLUOVCNSA-N- 분자식
- C29H42O9
- 평균 분자량
- 534.6 g/mol
- 단동위원소 질량
- 534.28288291
개요
Corchorozide A has been reported in Adonis mongolica with data available.
이름 및 식별자
- 우선 이름
- Corchorozide A
- IUPAC
- (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
- 현지명
- 코르코로시드
- 영어명
- Corchoroside
- 분자식
- C29H42O9
- 분자량
- 534.65
이름 및 동의어
Corchorozide AKorchoroside ACorchorosid A(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehydeCorchorosid A [German]Card-20(22)-enolide, 3-((2,6-dideoxy-beta-D-xylohexopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3-beta,5-beta)코르코로시드CorchorosideCard-20(22)-enolide, 3-[(2,6-dideoxy-β-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-(3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde(3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde(3S,5S,10S,13R,14S,17R)-3-[(2R,5S)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-17-(5-keto-2H-furan-3-yl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 녹는점
- 165 · 165-166 °C
- 끓는 점
- 735.6 · 735.6±60.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.68 · 13.68±0.70(Predicted)
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…