기본 정보
- CAS
66267-46-7- 표준 SMILES
CO[C@@H]1CCCN2[C@@H](CC[C@H]2[C@@H]2C[C@H](C)C(=O)O2)[C@@]12C[C@@H](C)C(=O)O2- InChIKey
TZPKEJFBTXRNTK-VNIFOTPGSA-N- 분자식
- C19H29NO5
- 평균 분자량
- 351.4 g/mol
- 단동위원소 질량
- 351.20457303
개요
See also: Stemonidine (annotation moved to).
이름 및 식별자
- 우선 이름
- Stemospironine
- IUPAC
- (3S,3'R,8R,9S,9aS)-8-methoxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
- 현지명
- 스테모스피로닌
- 영어명
- stemospironine
- 분자식
- C19H29NO5
- 분자량
- 351.44
이름 및 동의어
stemospironineStemonidineSCHEMBL20830109(2S,3'S,4R,8'R,9'aS)-Decahydro-8'-methoxy-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one; Stemospironine(3S,3'R,8R,9S,9aS)-8-methoxy-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one스테모스피로닌Stemonidine（Stemospironine）(2S,3'S,4R,8'R,9'aS)-Decahydro-8'-methoxy-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-oneSpiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one, decahydro-8'-methoxy-4-methyl-3'-[(2S,4S)-tetrahydro-4-methyl-5-oxo-2-furanyl]-, (2S,3'S,4R,8'R,9'aS)-(2S,3'S,4R,9'aβ)-3,4,1',2',3',5',6',7',8',9'a-Decahydro-8'β-methoxy-4-methyl-3'β-[(2S,4S)-tetrahydro-4-methyl-5-oxofuran-2-yl]spiro[furan-2(5H),9'-[9H]pyrrolo[1,2-a]azepin]-5-one
데이터베이스 식별자
- CAS
66267-46-7- PubChem CID
- 11221878
- Nikkaji
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 65.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 566
물리화학적 성질
- 녹는점
- 273 · 273-275℃
- 끓는 점
- 540.006 · 540.006±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.21 · 1.21
- 산도 계수 (pKa)
- 7.908 · 7.908±0.70(predicted)
화학 및 산업
응용 분야
출처A constituent of Stevia japonica, this alkaloid forms a white powder and is laevorotatory with a specific rotation of [α]D -8.2° (c 0.92. CHCl3). It has been characterized as the crystalline hydrobromide with m.p. 283-284°C (dec.). It has been characterized as the crystalline hydrobromide with m.p. 283-284°C (dec.).
용도Stemonidine is an alkaloid extracted from Stemona sessilifolia which acts as an insecticidal present in the leaves, stems and roots, as well as an alkaloidal constituents of interest that displays antitussive activity.
공급사7 곳
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