| SpectraBase Compound ID | 5fbaYR94VXR |
|---|---|
| InChI | InChI=1S/C30H38O15/c1-13-21(32)23(34)25(36)28(42-13)45-26-24(35)22(33)19(11-31)44-29(26)43-18-9-16(40-3)8-17-20(18)27(37)30(38,12-41-17)10-14-4-6-15(39-2)7-5-14/h4-9,13,19,21-26,28-29,31-36,38H,10-12H2,1-3H3/t13-,19+,21-,22+,23+,24-,25+,26+,28-,29+,30-/m0/s1 |
| InChIKey | CKEGVHWMGXJGHK-LJABZUSFSA-N |
| Mol Weight | 638.6 g/mol |
| Molecular Formula | C30H38O15 |
| Exact Mass | 638.221071 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jl3URz2pRVS |
|---|---|
| Name | (-)-7-O-METHYLEUCOMOL-5-O-BETA-NEOHESPERIDOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38O15 |
| InChI | InChI=1S/C30H38O15/c1-13-21(32)23(34)25(36)28(42-13)45-26-24(35)22(33)19(11-31)44-29(26)43-18-9-16(40-3)8-17-20(18)27(37)30(38,12-41-17)10-14-4-6-15(39-2)7-5-14/h4-9,13,19,21-26,28-29,31-36,38H,10-12H2,1-3H3/t13-,19+,21-,22+,23+,24-,25+,26+,28-,29+,30-/m0/s1 |
| InChIKey | CKEGVHWMGXJGHK-LJABZUSFSA-N |
| Literature Reference Author | Y.TANG,B.YU,J.HU,T.WU,H.HUI |
| Literature Reference Citation | J.NAT.PROD.,65,218(2002) |
| Literature Reference DOI | 10.1021/np010466a |
| Molecular Weight | 638.623 g/mol |
| Solvent | DMSO-D6 |