기본 정보
- CAS
29041-35-8- 표준 SMILES
CC(=O)O[C@H]1CC(C)=C2C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21- InChIKey
SYTRJRUSWMMZLV-VQGWEXQJSA-N- 분자식
- C17H22O5
- 평균 분자량
- 306.4 g/mol
- 단동위원소 질량
- 306.1467238
개요
Matricin is a sesquiterpene lactone.
이름 및 식별자
- 우선 이름
- Matricin
- IUPAC
- [(3S,3aR,4S,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
- 영어명
- [3S-(3alpha,3aalpha,4alpha,9alpha,9aalpha,9bbeta)]-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]-3H-furan-4-yl acetate
- 분자식
- C17H22O5
- 분자량
- 306.35
이름 및 동의어
Matricin29041-35-8O034C3549SDTXSID50951639[(3S,3aR,4S,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetatematricine((3S,3aR,4S,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno(4,5-b)furan-4-yl) acetateRefChem:41794DTXCID901379750249-384-3ProazuleneUNII-O034C3549S
이름 더 보기
ProchaMazulene(3S)-4β-(Acetyloxy)-3aβ,4,5,9,9aβ,9bα-hexahydro-9β-hydroxy-3β,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one(3S,3aR,4S,9R,9aS,9bS)-4-(Acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one[3S-(3α,3aα,4α,9α,9aα,9bβ)]-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]-3H-furan-4-yl acetateAzuleno[4,5-b]furan-2(3H)-one, 4-(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethyl-, (3S,3aR,4S,9R,9aS,9bS)-
EINECS 249-384-3(3S-(3alpha,3aalpha,4alpha,9alpha,9aalpha,9bbeta))-3a,4,5,9,9a,9b-Hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno(4,5-b)-3H-furan-4-yl acetate[3S-(3alpha,3aalpha,4alpha,9alpha,9aalpha,9bbeta)]-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]-3H-furan-4-yl acetate(-)-Matricin(3s,3ar,4s,9r,9as,9bs)-9-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl acetateProazulene; ProchamazuleneMatricin, analytical standardSCHEMBL457856
데이터베이스 식별자
- CAS
29041-35-8- PubChem CID
- 92265
- DTXSID
DTXSID50951639- ChEMBL
CHEMBL497441- ChEBI
CHEBI:6699- UNII
- O034C3549S
- EC Number
- 249-384-3
- Nikkaji
- J286.506H
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 72.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 590
실험 및 물리화학적 성질
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]
물리화학적 성질
- 녹는점
- 158 · 158-160℃ (dec.) (ethyl ether )
- 끓는 점
- 481.7 · 481.7±45.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3 (20 ºC 760 Torr)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 13.61 · 13.61±0.70(Predicted)
화학 및 산업
공급사5 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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