| SpectraBase Compound ID | 1RPV2MM3RyR |
|---|---|
| InChI | InChI=1S/C38H60O12/c1-19-10-13-38(32(46)50-31-28(44)27(43)26(42)23(17-39)49-31)15-14-35(5)21(29(38)37(19,7)47)8-9-25-33(3)16-22(48-20(2)41)30(45)34(4,18-40)24(33)11-12-36(25,35)6/h8,19,22-31,39-40,42-45,47H,9-18H2,1-7H3/t19-,22-,23?,24-,25+,26?,27?,28?,29+,30+,31?,33+,34+,35+,36+,37+,38-/m1/s1 |
| InChIKey | LDEKTVOHKULASL-LNGLLXETSA-N |
| Mol Weight | 708.9 g/mol |
| Molecular Formula | C38H60O12 |
| Exact Mass | 708.408477 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VwVVahWNNc |
|---|---|
| Name | Niga-ichigoside-F3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C38H60O12 |
| InChI | InChI=1S/C38H60O12/c1-19-10-13-38(32(46)50-31-28(44)27(43)26(42)23(17-39)49-31)15-14-35(5)21(29(38)37(19,7)47)8-9-25-33(3)16-22(48-20(2)41)30(45)34(4,18-40)24(33)11-12-36(25,35)6/h8,19,22-31,39-40,42-45,47H,9-18H2,1-7H3/t19-,22-,23?,24-,25+,26?,27?,28?,29+,30+,31?,33+,34+,35+,36+,37+,38-/m1/s1 |
| InChIKey | LDEKTVOHKULASL-LNGLLXETSA-N |
| Instrument Name | SF = 100 MHz |
| Literature Reference | Phytochem. 23, 2829 (1984). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Pyridine |