기본 정보
- CAS
551-58-6- 표준 SMILES
CC(C)[C@@](O)(C(=O)OCC1=CCN2CCC[C@@H]12)[C@@H](C)O- InChIKey
DRVWTOSBCBKXOR-ZLDLUXBVSA-N- 분자식
- C15H25NO4
- 평균 분자량
- 283.36 g/mol
- 단동위원소 질량
- 283.17835828
개요
Supinine is a member of pyrrolizines.
이름 및 식별자
- 우선 이름
- Supinine
- IUPAC
- [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
- 현지명
- 수피나인
- 영어명
- SUPININE
- 분자식
- C15H25NO4
- 분자량
- 283.36
이름 및 동의어
SupinineSupininAI3-51772UNII-W11Q632E7KW11Q632E7KButanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, ((7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (2S,3R)-Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl)methyl ester, (7aS-(7(2R*,3S*),7aR*))-DTXSID70203622RefChem:51469DTXCID00126113551-58-6[(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
이름 더 보기
수피나인SpininAI351772AI3 51772(2S,3R)-2,3-Dihydroxy-2-(1-methylethyl)butanoic acid [(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl(2S,3R)-2,3-Dihydroxy-2-(1-methylethyl)butanoic acid [(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl esterButanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(7aS)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl ester, (2S,3R)-
[(7aS)-2,3,5,7a-Tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoateCHEBI:9361orb1695135SCHEMBL29413752AKOS032946067DA-78119HY-122931CS-0090485
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 70 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 407
물리화학적 성질
- 녹는점
- 148.5 °C · 148.5°C
- 끓는 점
- 425.91 °C · 425.91°C (rough estimate)
- 밀도
- 1.0662 · 1.0662 (rough estimate)
- 굴절률
- 1.5 · 1.5000 (estimate)
- 산도 계수 (pKa)
- 12.59 · 12.59±0.29(Predicted)
화학 및 산업
응용 분야
개요A pyrrolizidine alkaloid obtained from Heliotropiurn supinurn, the base forms colourless needles when crystallized from Me2CO. It has [α]D - 23.8° (EtOH) and on alkaline hydrolysis furnishes trachelantic acid and supinidine. The latter has b.p. 158-9°C/1O mm; [α]D - 9.45° (EtOH) and gives a crystalline picrate, m.p.142-3°C.
용도Supinine is a hepatotoxic alkaloid that is excreted through urine as a metabolic pyrrole.
공급사12 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
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雷丁试剂0510-85629785 18013409632 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
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