기본 정보
- CAS
32728-78-2- 표준 SMILES
C/C=C(\C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12- InChIKey
HRSGCYGUWHGOPY-WUXMJOGZSA-N- 분자식
- C20H31NO7
- 평균 분자량
- 397.5 g/mol
- 단동위원소 질량
- 397.21005233
개요
2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester has been reported in Cynoglossum germanicum, Heliotropium supinum, and other organisms with data available.
이름 및 식별자
- 우선 이름
- 2-Butenoic acid, 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester (VA
- IUPAC
- [7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
- 현지명
- 헬리오수핀
- 영어명
- Heliosupine
- 분자식
- C20H31NO7
- 분자량
- 397.46
이름 및 동의어
2-Butenoic acid, 2-methyl-, 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl esterHRSGCYGUWHGOPY-WUXMJOGZSA-NNSC136054WLN: T55 AN CUTJ D1OVXQYQ1&XQ1&1 FOVY1&U22-Butenoic acid, 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester (VA헬리오수핀Heliosupine sulfateHeliosupineCynoglossophine2-Methyl-2-butenoic acid 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy)methyl-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl2-Methyl-2-butenoic acid 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutyryloxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester2-Methyl-2-butenoic acid 7-[[2,3-dihydroxy-2-(1-hydroxyethyl)-3-methyl-1-oxobutoxy]methyl]-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl ester
이름 더 보기
D-erythro-Pentitol, 1,5-dideoxy-4-C-methyl-3-C-[[[(1S,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrrolizin-7-yl]methoxy]carbonyl]-
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 684
물리화학적 성질
- 끓는 점
- 535.658 · 535.658±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.268 · 1.268±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 12.451 · 12.451±0.29(predicted)
- 주요 응용
- 음식 및 음료제약
- InChIKey
- HRSGCYGUWHGOPY-UKLMUADPSA-N
- SMILES
- N21[C@@H]([C@H](CC2)OC(=O)\C(=C/C)\C)C(=CC1)COC(=O)[C@](O)([C@@H](O)C)C(O)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 Oral
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
공급사15 곳
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
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BOC Sciences1-631-485-4226; 16314854226 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [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]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
南京狄尔格医药科技有限公司025-025-51191215 18013836722 · [email protected]
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