기본 정보
- CAS
27696-09-9- 표준 SMILES
C=C1C(=O)OC2C1CCC(C)C1(CCC(=O)O1)C2(C)O- InChIKey
IRPFOXRBPHCCTG-UHFFFAOYSA-N- 분자식
- C15H20O5
- 평균 분자량
- 280.32 g/mol
- 단동위원소 질량
- 280.13107373
개요
Cordilin has been reported in Ambrosia cordifolia, Ambrosia canescens, and Ambrosia confertiflora with data available.
이름 및 식별자
- 우선 이름
- 8-Hydroxy-6,8-dimethyl-3-methylidenehexahydrospiro(cyclohepta(b)furan-7,2'-oxolane)-2,5'(3H)-dione
- IUPAC
- 8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione
- 영어명
- (3aS,7R,8aβ)-3aβ,4,5,6,8,8a,3',4'-Octahydro-8α-hydroxy-6α,8-dimethyl-3-methylenespiro[7H-cyclohepta[b]furan-7,2'(5'H)-furan]-2,5'(3H)-dione
- 분자식
- C15H20O5
- 분자량
- 280.32
이름 및 동의어
DTXSID909503688-Hydroxy-6,8-dimethyl-3-methylidenehexahydrospiro(cyclohepta(b)furan-7,2'-oxolane)-2,5'(3H)-dione8-Hydroxy-6,8-dimethyl-3-methylidenehexahydrospiro[cyclohepta[b]furan-7,2'-oxolane]-2,5'(3H)-dioneRefChem:1074710DTXCID001378529CordilinPsilostachyin27696-09-98-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dioneSpiro[7H-cyclohepta[b]furan-7,5'(3H)-dione, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,7.alpha.,8.beta.,8a.alpha.)]-NSC106390NSC142794
이름 더 보기
Spiro[7H-cyclohepta[b]furan-7,2'(5'H)-furan]-2,5'(3H)-dione, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-, (2'R,3aS,6S,8R,8aR)-(3aS,7R,8aβ)-3aβ,4,5,6,8,8a,3',4'-Octahydro-8α-hydroxy-6α,8-dimethyl-3-methylenespiro[7H-cyclohepta[b]furan-7,2'(5'H)-furan]-2,5'(3H)-dioneSpiro[7H-cyclohepta[B]furan-7,2'(5'H)-furan]-2,5'(3H)-dione, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-, [3as-(3A.alpha.,6.beta.,7.alpha.,8.beta.,8A.alpha.)]-
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 72.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 498
물리화학적 성질
- 끓는 점
- 398.541 · 398.541±12.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.267 · 1.267±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.245 · 13.245±0.40(predicted)
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