| SpectraBase Compound ID | KiQN1aS0Xb2 |
|---|---|
| InChI | InChI=1S/C31H42O18/c1-3-14-15(16(28(42)43-2)12-45-29(14)49-31-27(41)25(39)23(37)20(11-33)48-31)9-21(35)44-7-6-13-4-5-18(17(34)8-13)46-30-26(40)24(38)22(36)19(10-32)47-30/h3-5,8,12,15,19-20,22-27,29-34,36-41H,6-7,9-11H2,1-2H3/b14-3+/t15?,19-,20-,22-,23-,24+,25+,26-,27-,29+,30-,31+/m0/s1 |
| InChIKey | TZKSBCFVWWWMJO-YGKDRBAZSA-N |
| Mol Weight | 702.7 g/mol |
| Molecular Formula | C31H42O18 |
| Exact Mass | 702.237114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13JboSOBEPz |
|---|---|
| Name | ANGUSTIFOLIOSIDE A |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C31H42O18 |
| InChI | InChI=1S/C31H42O18/c1-3-14-15(16(28(42)43-2)12-45-29(14)49-31-27(41)25(39)23(37)20(11-33)48-31)9-21(35)44-7-6-13-4-5-18(17(34)8-13)46-30-26(40)24(38)22(36)19(10-32)47-30/h3-5,8,12,15,19-20,22-27,29-34,36-41H,6-7,9-11H2,1-2H3/b14-3+/t15?,19-,20-,22-,23-,24+,25+,26-,27-,29+,30-,31+/m0/s1 |
| InChIKey | TZKSBCFVWWWMJO-YGKDRBAZSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |