| SpectraBase Compound ID | LpEjxdwwugJ |
|---|---|
| InChI | InChI=1S/C30H38O14/c1-14-22(34)25(37)27(43-20(33)8-7-15-5-3-2-4-6-15)30(40-14)41-18-11-16(12-31)21-17(18)9-10-39-28(21)44-29-26(38)24(36)23(35)19(13-32)42-29/h2-11,14,17-19,21-32,34-38H,12-13H2,1H3/b8-7+/t14-,17+,18-,19+,21-,22-,23+,24-,25+,26+,27+,28+,29-,30-/m1/s1 |
| InChIKey | CZZDQOSBWQATCP-WMKOSVJXSA-N |
| Mol Weight | 622.6 g/mol |
| Molecular Formula | C30H38O14 |
| Exact Mass | 622.226156 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpvjYPTvwi9 |
|---|---|
| Name | NIGROSIDE_2;6-O-(22-O-CINNAMOYL-ALPHA-L-RHAMNOPYRANOSYL)-AUCUBIN |
| Compound Number | 69 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H38O14 |
| InChI | InChI=1S/C30H38O14/c1-14-22(34)25(37)27(43-20(33)8-7-15-5-3-2-4-6-15)30(40-14)41-18-11-16(12-31)21-17(18)9-10-39-28(21)44-29-26(38)24(36)23(35)19(13-32)42-29/h2-11,14,17-19,21-32,34-38H,12-13H2,1H3/b8-7+/t14-,17+,18-,19+,21-,22-,23+,24-,25+,26+,27+,28+,29-,30-/m1/s1 |
| InChIKey | CZZDQOSBWQATCP-WMKOSVJXSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 622.623 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16063 |