기본 정보
- CAS
3253-62-1- 표준 SMILES
CC1O[C@H](O[C@H]2CC[C@]3(CO)C4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@]3(O)C2)C(O)C(O)[C@@H]1O- InChIKey
UQEKVLJMBGSQGS-TXWZKFBRSA-N- 분자식
- C29H44O10
- 평균 분자량
- 552.7 g/mol
- 단동위원소 질량
- 552.2934476
개요
Perconval has been reported in Convallaria majalis and Antiaris toxicaria with data available.
이름 및 식별자
- 우선 이름
- 3-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
- IUPAC
- 3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
- 영어명
- Convallatoxol
- 분자식
- C29H44O10
- 분자량
- 552.65
이름 및 동의어
DTXSID509542613-((6-Deoxyhexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide3-[(6-Deoxyhexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolideRefChem:1066316DTXCID9013822863253-62-1PerconvalMannopyranoside, strophanthidol-3 6-deoxy-, alpha-L-SCHEMBL29715338UQEKVLJMBGSQGS-TXWZKFBRSA-N5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,14,19-trihydroxy-(8xi,9xi)-3beta-[(6-Deoxy-alpha-D-glycero-hexopyranosyl)oxy]-5,14,19-trihydroxy-5beta-card-20(22)-enolide
이름 더 보기
ConvalotoxolConvallotoxolConvallatoxolStrophanthidolRhamnosideStrophanthidol-3=6-deoxy-α-L-mannopyranoside3β-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-5β-card-20(22)-enolideCard-20(22)-enolide, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,14,19-trihydroxy-, (3β,5β)-3-[(3S,5S,10R,13R,14S,17R)-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,020
실험 및 물리화학적 성질
LogP-0.62
물리화학적 성질
- 녹는점
- 171 °C · 171°C
- 끓는 점
- 543.19 °C · 543.19°C (rough estimate)
- 밀도
- 1.1505 · 1.1505 (rough estimate)
- 굴절률
- 1.5376 · 1.5376 (estimate)
- 산도 계수 (pKa)
- 13.04 · 13.04±0.70(Predicted)
화학 및 산업
공급사4 곳
山东洛克化工有限公司17653113209 13065062079 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
SHANDONG ZHI SHANG CHEMICAL CO.LTD0531-68652808 18953170293 · [email protected]
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