| SpectraBase Compound ID | B6UXY2wXuEC |
|---|---|
| InChI | InChI=1S/C45H60O23/c1-21(14-15-56-24(4)46)12-11-13-22(2)41(55)59-19-45(68-30(10)52)20-60-44(39(45)64-29(9)51)66-38-37(63-28(8)50)36(62-27(7)49)34(18-57-25(5)47)65-43(38)67-42-35-23(3)33(61-26(6)48)16-31(35)32(17-58-42)40(53)54/h13-14,17,23,31,33-39,42-44H,11-12,15-16,18-20H2,1-10H3,(H,53,54)/b21-14+,22-13+/t23-,31?,33+,34+,35?,36+,37-,38+,39-,42+,43-,44+,45+/m1/s1 |
| InChIKey | RASLNAKDDZUSIJ-IEMSVURHSA-N |
| Mol Weight | 969.0 g/mol |
| Molecular Formula | C45H60O23 |
| Exact Mass | 968.352538 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 54SEGOIGeIu |
|---|---|
| Name | INTERMINOSIDE-B-HEPTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H60O23 |
| InChI | InChI=1S/C45H60O23/c1-21(14-15-56-24(4)46)12-11-13-22(2)41(55)59-19-45(68-30(10)52)20-60-44(39(45)64-29(9)51)66-38-37(63-28(8)50)36(62-27(7)49)34(18-57-25(5)47)65-43(38)67-42-35-23(3)33(61-26(6)48)16-31(35)32(17-58-42)40(53)54/h13-14,17,23,31,33-39,42-44H,11-12,15-16,18-20H2,1-10H3,(H,53,54)/b21-14+,22-13+/t23-,31?,33+,34+,35?,36+,37-,38+,39-,42+,43-,44+,45+/m1/s1 |
| InChIKey | RASLNAKDDZUSIJ-IEMSVURHSA-N |
| Literature Reference Author | I.CALIS,M.HOSNY,A.YUERUEKER,A.D.WRIGHT,O.STICHER |
| Literature Reference Citation | J.NAT.PROD.,57,494(1994) |
| Literature Reference DOI | 10.1021/np50106a008 |
| Molecular Weight | 968.958 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1401 |