| SpectraBase Compound ID | GAtpzrhsc6P |
|---|---|
| InChI | InChI=1S/C36H58O10/c1-31(2)13-15-36(30(44)46-29-27(42)26(41)25(40)20(17-37)45-29)16-14-34(5)19(24(36)28(31)43)7-8-22-32(3)11-10-23(39)33(4,18-38)21(32)9-12-35(22,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21?,22?,23+,24?,25-,26+,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | BMGGTTSLKCCELP-ZHSDKFSJSA-N |
| Mol Weight | 650.9 g/mol |
| Molecular Formula | C36H58O10 |
| Exact Mass | 650.402998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DKzRyAsDAz5 |
|---|---|
| Name | SPATHODIC_ACID_28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O10 |
| InChI | InChI=1S/C36H58O10/c1-31(2)13-15-36(30(44)46-29-27(42)26(41)25(40)20(17-37)45-29)16-14-34(5)19(24(36)28(31)43)7-8-22-32(3)11-10-23(39)33(4,18-38)21(32)9-12-35(22,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21?,22?,23+,24?,25-,26+,27-,28+,29+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | BMGGTTSLKCCELP-ZHSDKFSJSA-N |
| Literature Reference Author | A.L.ZHANG,Q.YE,B.G.LI,H.Y.QI,G.L.ZHANG |
| Literature Reference Citation | J.NAT.PROD.,68,1531(2005) |
| Literature Reference DOI | 10.1021/np050285z |
| Molecular Weight | 650.851 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ13011 |