4-Hydroxy-5-(1-hydroxyheptyl)-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetrone

红青霉毒素 B

基本信息

4-Hydroxy-5-(1-hydroxyheptyl)-10-[hydroxy(6-oxo-3,6-dihydro-2H-pyran-2-yl)methyl]-5,9,10,11-tetrahydro-1H-furo[3',4':5,6]cyclonona[1,2-c]furan-1,3,6,8(4H)-tetrone

CAS号

21794-01-4

分子式

C26H30O11

分子量

518.515 g/mol

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基本物理性质

熔点

176°C

沸点

522.6°C (rough estimate)

闪点

271.8°C

折射率

1.5376 (estimate)

SMILES

CCCCCCC(C1C(C2=C(CC(CC3=C1C(=O)OC3=O)C(C4CC=CC(=O)O4)O)C(=O)OC2=O)O)O

InChI

InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3

InChIKey

ZJTBTDVZNGBSNG-UHFFFAOYSA-N

LogP

0.6973999999999998

拓扑极性表面积

173.73 Ų

氢键供体/受体

3 / 11

复杂度

1100

分类与用途

化学分类

医药产品
原料药及中间体
中间体

安全信息

危险类别

6.1(b)

同义词与参考文献

英文

  • UNII-J38U4758MY
  • NSC-126729
  • DTXSID601019060
  • (2R, 3S, 10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2, 3-dihydropyran-2-yl]methyl]-6, 14-dioxatricyclo[10.3.0.04, 8]pentadeca-1(12), 4(8)-diene-5, 7, 13, 15-tetrone
  • 1H-CYCLONONA(1,2-C:5,6-C')DIFURAN-1,3,6,8(4H)-TETRONE, 10- ((3,6-DIHYDRO-6-OXO-2H-PYRAN-2-YL)HYDROXYMETHYL)-5,9,10,11- TETRAHYDRO-4-HYDROXY-5-(1-HYDROXYHEPTYL)-
  • HSDB 3533
  • CHEBI:80714
  • 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, (4R*,5S*(R*),10S*(S*(S*)))-(+)-
  • Rubratoxin
  • (2S,3S)-2-Hydroxy-3-[(1S)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
  • BRN 1633114
  • 1,5-Cyclononadiene-1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)-
  • 1H-Cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone, 10-((3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-
  • 10-((3,6-DIHYDRO-6-OXO-2H- PYRAN-2-YL)HYDROXYMETHYL)-5,9,10,11-TETRAHYDRO-4-HYDROXY-5- (1-HYDROXYHEPTYL)-1H-CYCLONONA(1,2-C:5,6-C')DIFURAN- 1,3,6,8(4H)-TETRONE, (4R*,5S*(R*),10S*(S*(S*)))-(+)-
  • 1H-CYCLONONA(1,2-C:5,6-C')DIFURAN-1,3,6,8(4H)-TETRONE, 10-((R)-((2R)-3,6-DIHYDRO-6-OXO-2H-PYRAN-2-YL)HYDROXYMETHYL)-5,9,10,11-TETRAHYDRO-4-HYDROXY-5-((1S)-1-HYDROXYHEPTYL)-, (4S,5R,10R)-REL-(+)-
  • RUBRATOXIN B [HSDB]
  • NSC126729
  • AKOS040747460
  • RUBRATOXINB
  • EINECS 244-582-6
  • (2R,3S,10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihydropyran-2-yl]methyl]-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
  • J38U4758MY
  • 1H-Cyclonona[1,6-c']difuran-1,3,6,8(4H)-tetrone, 10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-, [4R*,5S*(R*),10S*[S*(S*)]]-(+)-
  • NSC 126729
  • RUBRATOXIN B
  • Q15426986
  • (4R*,5S*(R*),10S*(S*(S*)))-(+)-10-((3,6-Dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona(1,2-c:5,6-c')difuran-1,3,6,8(4H)-tetrone
  • 1,2,5,6-tetracarboxylic 1,2:5,6-dianhydride, 8-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-3-hydroxy-4-(1-hydroxyheptyl)-
  • CCRIS 4939
  • 21794-01-4
  • 1h-cyclonona(1,2-c:5,6-c’)difuran-1,3,6,8(4h)-tetrone,10-((3,6-dihydro-6-oxo-2
  • 5s*(r*),10s*(s*(s*)))-(+)-(4r*
  • -6-oxo-2h-pyran-2-yl)hydroxymethyl)-3-hydroxy-4-(1-hydroxyheptyl)-
  • h-pyran-2-yl)hydroxymethyl)-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)
  • [4R*,5S*(R*),10S*[S*(S*)]]-(+)-10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone
  • RUBRATOXIN B VIAL WITH 10 MG*
  • 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran...
  • 1H-Cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone,10-[(R)-[(2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl]hydroxymethyl]-5,9,10,11-
  • RUBRATOXIN B FROM PENICILLIUM RUBRUM
  • [4R*,5S*(R*),10S*(S*(S*))]-(+)-10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone
  • 1,2,5,6-tetracarboxylic 1,2:5,6-d
  • C16767

中文

  • 红青霉毒素 B

CAS号

21794-01-4

供应商信息

供应商名称 会员等级 认证状态 主要类别 最小订购量 操作
中国中国 - 青岛普瑞邦生物工程有限公司

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