SpectraBase Compound ID | HremB7ERsYX |
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InChI | InChI=1S/C52H84O23/c1-46(20-55)12-13-51-22-69-52(29(51)14-46)11-7-28-47(2)9-8-31(48(3,21-56)27(47)6-10-49(28,4)50(52,5)15-30(51)58)73-44-40(75-43-39(66)36(63)33(60)24(16-53)70-43)35(62)26(19-68-44)72-45-41(37(64)34(61)25(17-54)71-45)74-42-38(65)32(59)23(57)18-67-42/h20,23-45,53-54,56-66H,6-19,21-22H2,1-5H3/t23-,24-,25-,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49-,50+,51-,52+/m1/s1 |
InChIKey | CGUJOULZMVZSJL-MVSNLAJGSA-N |
Mol Weight | 1077.2 g/mol |
Molecular Formula | C52H84O23 |
Exact Mass | 1076.540339 g/mol |
SpectraBase Spectrum ID | DmApgChhQob |
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Name | CYClACOUMIN |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C52H84O23 |
InChI | InChI=1S/C52H84O23/c1-46(20-55)12-13-51-22-69-52(29(51)14-46)11-7-28-47(2)9-8-31(48(3,21-56)27(47)6-10-49(28,4)50(52,5)15-30(51)58)73-44-40(75-43-39(66)36(63)33(60)24(16-53)70-43)35(62)26(19-68-44)72-45-41(37(64)34(61)25(17-54)71-45)74-42-38(65)32(59)23(57)18-67-42/h20,23-45,53-54,56-66H,6-19,21-22H2,1-5H3/t23-,24-,25-,26+,27?,28?,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48+,49-,50+,51-,52+/m1/s1 |
InChIKey | CGUJOULZMVZSJL-MVSNLAJGSA-N |
Literature Reference Author | I.CALIS,A.YURUKER,N.TANKER,A.D.WRIGHT,O.STICHER |
Literature Reference Citation | PLANTA.MED.,63,166(1997) |
Literature Reference DOI | 10.1055/s-2006-957637 |
Molecular Weight | 1077.225 g/mol |
Solvent | CD3OD |
Source File Reference | UIAP915 |