| SpectraBase Compound ID | C3IMjLbEmss |
|---|---|
| InChI | InChI=1S/C62H82O32/c1-16-38-41(44(57(74)76-14)23-82-59(38)93-61-55(88-36(12)70)53(86-34(10)68)51(84-32(8)66)47(91-61)25-79-30(6)64)19-49(72)81-22-43-28(4)46(18-40(43)27(3)21-78-29(5)63)90-50(73)20-42-39(17-2)60(83-24-45(42)58(75)77-15)94-62-56(89-37(13)71)54(87-35(11)69)52(85-33(9)67)48(92-62)26-80-31(7)65/h16-17,23-24,27-28,40-43,46-48,51-56,59-62H,18-22,25-26H2,1-15H3/b38-16-,39-17+/t27-,28-,40+,41+,42+,43-,46+,47+,48+,51+,52+,53-,54-,55+,56+,59+,60+,61-,62-/m0/s1 |
| InChIKey | WXAXWUULXVAATJ-UERYWDGTSA-N |
| Mol Weight | 1339.3 g/mol |
| Molecular Formula | C62H82O32 |
| Exact Mass | 1338.47892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D0LnFuMOxWP |
|---|---|
| Name | JASNUDIFLOSIDE-A-PERACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H82O32 |
| InChI | InChI=1S/C62H82O32/c1-16-38-41(44(57(74)76-14)23-82-59(38)93-61-55(88-36(12)70)53(86-34(10)68)51(84-32(8)66)47(91-61)25-79-30(6)64)19-49(72)81-22-43-28(4)46(18-40(43)27(3)21-78-29(5)63)90-50(73)20-42-39(17-2)60(83-24-45(42)58(75)77-15)94-62-56(89-37(13)71)54(87-35(11)69)52(85-33(9)67)48(92-62)26-80-31(7)65/h16-17,23-24,27-28,40-43,46-48,51-56,59-62H,18-22,25-26H2,1-15H3/b38-16-,39-17+/t27-,28-,40+,41+,42+,43-,46+,47+,48+,51+,52+,53-,54-,55+,56+,59+,60+,61-,62-/m0/s1 |
| InChIKey | WXAXWUULXVAATJ-UERYWDGTSA-N |
| Literature Reference Author | T.TANAHASHI,Y.TAKENAKA,N.NAGAKURA,T.NISHI |
| Literature Reference Citation | J.NAT.PROD.,62,1311(1999) |
| Literature Reference DOI | 10.1021/np9901175 |
| Molecular Weight | 1339.314 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS21933 |