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薯蓣皂苷元 | 512-06-1

薯蓣皂苷元
Neodiosgenin
512-06-1
C27H42O3
414.6206
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:薯蓣皂苷元结构式
441900
薯蓣皂苷元价格
名称和标识符
MDL MFCD20377911
InChIKey WQLVFSAGQJTQCK-BGBZLLQWSA-N
Inchi 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16?,17?,19?,20?,21?,22?,23?,24?,25-,26-,27+/m0/s1
SMILES O1[C@]2(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])O2)C([H])(C([H])([H])[H])C2([H])C1([H])C([H])([H])C1([H])C3([H])C([H])([H])C([H])=C4C([H])([H])C([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])O[H]
别名信息
- 中文别名 -
  • 薯蓣皂苷元
  • 雅姆皂苷元
  • 4 - (乙氧羰基)苯基锌碘化物,0.5M四氢呋喃溶液
  • 薯蓣皂素
- 英文别名 -
  • yamogenin
  • DIOSGENIN
  • (20Α,22R,25S)-Spirosta-5-Ene-3Β-Ol
  • (3beta,25S)-spirost-5-en-3-ol
  • NSC 226132
  • Spirost-5-en-3-ol, (3beta,25S)-
  • Jamogenin
  • Neodiosgenin
  • 3beta-Hydroxy-5-spirostene
  • Spirosta-5-ene-3beta-ol
  • 8289AH
  • 512Y061
  • (1S,2S,4S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-Tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,1
  • 25-epi-Diosgenin
  • C08918
  • (25S)-spirost-5-en-3beta-ol
  • Yamogenin
  • (2'R,4S,5'S,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-ol
  • DTXCID201331882
  • SCHEMBL6040875
  • CHEMBL400807
  • s5675
  • (22r,25s)-(20alpha)-spirost-5-en-3beta-ol
  • CS-0018583
  • DTXSID60903922
  • BDBM604165
  • (2R,5'S)-5'-tetramethylspiro[[?]-2,2'-tetrahydropyran]ol
  • HY-N2078
  • NSC-226132
  • (1S,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
  • US11660306, Example Yamogenin
  • M487OD4XW3
  • SPIROST-5-EN-3-OL, (3.BETA.,25S)-
  • (20alpha,22r,25s)-Spirosta-5-ene-3beta-ol
  • NS00093689
  • UNII-M487OD4XW3
  • WQLVFSAGQJTQCK-CAKNJAFZSA-N
  • AKOS025402417
  • LMST01080045
  • AC-8895
  • Yamogenin - 70%
  • Q8048088
  • XY165194
  • 512-06-1
  • CHEBI:10086
  • (22R,25S)-(20.ALPHA.)-SPIROST-5-EN-3.BETA.-OL
  • 25D-Spirost-5-en-3beta-ol
  • 25D-Spirost-5-en-3beta-ol
  • NSC226132
  • NSC226132
  • 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
  • 5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
  • Spirost-5-en-3-ol,25R)-
  • Spirost-5-en-3-ol,25R)-
  • FT-0603434
  • FT-0603434
  • Spirost-5-en-3-ol
  • Spirost-5-en-3-ol
  • Oprea1_211630
  • Oprea1_211630
  • (25R)-Spirost-5-en-3.beta.-ol
  • (25R)-Spirost-5-en-3.beta.-ol
  • WQLVFSAGQJTQCK-UHFFFAOYSA-N
  • WQLVFSAGQJTQCK-UHFFFAOYSA-N
  • 22.alpha.-Spirost-5-en-3.beta.-ol
  • 22.alpha.-Spirost-5-en-3.beta.-ol
  • 25D-spirost-5-en-3.beta.-ol
  • 25D-spirost-5-en-3.beta.-ol
  • Spiro(8H-naphth(2',1':4,5)-indeno(2,1-b)furan-8,2'-(2H)-pyran)-2-ol, 1,2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9a,10,10a,10b,11-eicosahydro-4a,5',6a,7-tetramethyl-
  • Spiro(8H-naphth(2',1':4,5)-indeno(2,1-b)furan-8,2'-(2H)-pyran)-2-ol, 1,2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9a,10,10a,10b,11-eicosahydro-4a,5',6a,7-tetramethyl-
  • AKOS005612978
  • AKOS005612978
  • VS-02258
  • VS-02258
  • NSC33396
  • NSC33396
  • Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirost-5-en-3-ol deriv.
  • Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirost-5-en-3-ol deriv.
  • SY015253
  • SY015253
  • Epidiosgenin_71.9%
  • Epidiosgenin_71.9%
  • 5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]icosan]-18'-en-16'-ol
  • SCHEMBL13632238
  • 5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0(2),?.0?,?.0(1)(3),(1)?]icosan]-18'-en-16'-ol
  • Spirost-5-en-3.beta.-ol, (25R)-
  • SCHEMBL13632238
  • Spirost-5-en-3-ol, (3.beta.,25R)-
  • Spirost-5-en-3.beta.-ol, (25R)-
  • Spiro[8H-naphth[2',5]-indeno[2,1-b]furan-8,2'-[2H]-pyran]-2-ol, 1,2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9a,10,10a,10b,11-eicosahydro-4a,5',6a,7-tetramethyl-
  • Spirost-5-en-3-ol, (3.beta.,25R)-
  • Spirost-5-en-3-ol #
  • Spiro[8H-naphth[2',5]-indeno[2,1-b]furan-8,2'-[2H]-pyran]-2-ol, 1,2,3,3',4,4',4a,4b,5,5',6,6',6a,6b,7,9a,10,10a,10b,11-eicosahydro-4a,5',6a,7-tetramethyl-
  • Spirost-5-en-3-ol #
  • (25R)-spirost-5-en-3beta-ol
  • Nitogenin
  • nitogenin
  • Diosgenin
  • (3beta,25R) Spirost-5-en-3-ol
  • (25R)-5-Spirosten-3&#946
  • -ol, 3&#946
  • -Hydroxy-5-spirostene
  • Diosgenin
  • diosgenin
  • (20R,25R)-spirost-5-en-3beta-ol
物化性质
实验特性
LogP 5.71390
PSA 38.69000
折射率 1.564
沸点 527.1°C at 760 mmHg
闪点 272.6°C
密度 1.13
计算特性
精确分子量 414.31300
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 0
同位素质量 414.313
重原子数量 30
复杂度 746
同位素原子数量 0
确定原子立构中心数量 11
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 5.7
拓扑分子极性表面积 38.7
分子量 414.6
专业数据库参考
PubChemId 441900
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