(6aR, 11 aR)-3-하이드록시-9-디메톡시 프테로카르판-0-O-β-D-글루코시드

: IUPAC이름：2-[(9,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol; CAS 레지스트리 번호: 94367-42-7; 분자 무게：462.45

1. 이름 및 식별자

: 1.1 제품명; (6aR, 11 aR)-3-하이드록시-9-디메톡시 프테로카르판-0-O-β-D-글루코시드; 1.2 동의어; (6aR, 11 aR)-3-hydroxy-9,l0-diMethoxy pterocarpan–7–O–β–D–glucosideMethylnissolin-3-O-glucoside(6aR,11aR)-9,10-Dimethoxypterocarpan 3-O-beta-D-glucoside9-O-Methylnissolin 3-O-glucoside9,10-Dimethoxyptercarpan-3-O-β-D-glucopyranoside9,10-Dimethoxypterocarpan-3-O-b-D-glucopyranoside(6aR,11aR)-9,10-dimethoxy pterocarpan-3-O-β-D-glucopyanoside9,10-Dimethoxyptercarpan-3-O-β-D-glucoside; 모두 보기

1.6 Inchi: InChI=1S/C23H26O10/c1-28-14-6-5-11-13-9-30-15-7-10(3-4-12(15)20(13)33-21(11)22(14)29-2)31-23-19(27)18(26)17(25)16(8-24)32-23/h3-7,13,16-20,23-27H,8-9H2,1-2H3

1.8 교회법에 의거 한 SMILES: COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)OC

1.9 이성질체 SMILES: COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)OC

2. 속성

3. MSDS 정보

no data available

no data available

4. 화학 데이터 계산

분자량: 462.4g/mol
분자식: C₂₃H₂₆O₁₀
Compound Is Canonicalized: True
XLogP3-AA: 0.8
Exact Mass: 462.15259702
Monoisotopic Mass: 462.15259702
Complexity: 665
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 4
Hydrogen Bond Acceptor Count: 10
Topological Polar Surface Area: 136
Heavy Atom Count: 33
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 7
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB4PAAAAAAAAAAAAAAAAAAAASAAAAA0aIEAAAAAAEiRQAAAGgAACAAADRSwmAMyDoAABgCAAiBCAAACCAAgIAAIiAAGiIgdNyKEMRqieCKlwBUPqAfA4PwOoAABCAAIQABAAAIQABCAAAAAAAAAAA==

5. 권장 공급업체

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