3'-Hydroxyrocaglamide
기본 정보
- CAS
189322-67-6- 표준 SMILES
COc1cc(OC)c2c(c1)O[C@@]1(c3ccc(OC)c(O)c3)[C@H](c3ccccc3)[C@@H](C(=O)N(C)C)[C@@H](O)[C@@]21O- InChIKey
VOSHNPGEFUCUHH-IDAMAFBJSA-N- 분자식
- C29H31NO8
- 평균 분자량
- 521.6 g/mol
- 단동위원소 질량
- 521.20496695
개요
(2S,3R,4R,5S,6R)-2,3-dihydroxy-6-(3-hydroxy-4-methoxyphenyl)-10,12-dimethoxy-N,N-dimethyl-5-phenyl-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),8,10-triene-4-carboxamide has been reported in Aglaia odorata with data available.
이름 및 식별자
- 우선 이름
- 3'-Hydroxyrocaglamide
- IUPAC
- (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
- 영어명
- 3'-Hydroxyrocaglamide
- 분자식
- C29H31NO8
- 분자량
- 521.56
이름 및 동의어
3'-Hydroxyrocaglamide189322-67-6DTXSID301019942(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide(1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta(b)(1)benzofuran-2-carboxamideRefChem:90438DTXCID501477801Rocaglamide DC-3'-HydroxyrocaglamideRocaglamide CC29H31NO8C-3'-Hydroxyrocaglamide; Roc D
이름 더 보기
1H-Cyclopenta[b]benzofuran-2-carboxamide, 2,3,3a,8b-tetrahydro-1,8b-dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N,N-dimethyl-3-phenyl-, (1R,2R,3S,3aR,8bS)-
3/'-Hydroxyrocaglamideorb1683591SCHEMBL29370550HY-N1841TN2952AKOS032962193(1R,2R,3S,3aR,8bS)-1,8b-Dihydroxy-3a-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-N,N-dimethyl-3-phenyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2-carboxamideDA-57500
데이터베이스 식별자
- CAS
189322-67-6- PubChem CID
- 10815847
- DTXSID
DTXSID301019942- Nikkaji
- J821.729G
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 850
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
물리화학적 성질
- 끓는 점
- 704.8 · 704.8±60.0 °C(Predicted)
- 밀도
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 산도 계수 (pKa)
- 9.85 · 9.85±0.10(Predicted)
- 물리적 상태
- 흰색 내지 회백색의 끈적끈적한 고체.
화학 및 산업
응용 분야
용도Rocaglamide C is a derivative of Rocaglamide.
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