| SpectraBase Compound ID | 8OsLKyKsGq5 |
|---|---|
| InChI | InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | WKKBYJLXSKPKSC-JVJIQXRHSA-N |
| Mol Weight | 666.8 g/mol |
| Molecular Formula | C36H58O11 |
| Exact Mass | 666.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DJpRYzAAdOn |
|---|---|
| Name | 2-ALPHA,3-BETA,19-ALPHA,23-TETRAHYDROXY-URS-12-EN-28-OIC-ACID-BETA-D-GLUCOPYRANOSYLESTER;NIGA-ICHIGOSIDE-F1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O11 |
| InChI | InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1 |
| InChIKey | WKKBYJLXSKPKSC-JVJIQXRHSA-N |
| Literature Reference Author | M.ONO,M.TATEISHI,H.KOBAYASHI,K.IGOSHI,H.KAMATSU,Y.ITO,T.NOHA RA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,200(2003) |
| Literature Reference DOI | 10.1248/cpb.51.200 |
| Molecular Weight | 666.850 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21119 |