| SpectraBase Compound ID | IpVubPZ4M8K |
|---|---|
| InChI | InChI=1S/C31H40O13/c1-3-22-23(13-21-12-19(35)11-20(42-21)10-18(34)9-6-16-4-7-17(33)8-5-16)24(29(39)40-2)15-41-30(22)44-31-28(38)27(37)26(36)25(14-32)43-31/h3-5,7-8,15,20-23,25-28,30-33,36-38H,1,6,9-14H2,2H3/t20?,21?,22-,23+,25+,26+,27-,28+,30+,31-/m1/s1 |
| InChIKey | BAKYVUHOODEWGV-KAZXVHCNSA-N |
| Mol Weight | 620.6 g/mol |
| Molecular Formula | C31H40O13 |
| Exact Mass | 620.246891 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTgy2OBoKMz |
|---|---|
| Name | HYDRANGENOSIDE-A |
| Compound Number | 199 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H40O13 |
| InChI | InChI=1S/C31H40O13/c1-3-22-23(13-21-12-19(35)11-20(42-21)10-18(34)9-6-16-4-7-17(33)8-5-16)24(29(39)40-2)15-41-30(22)44-31-28(38)27(37)26(36)25(14-32)43-31/h3-5,7-8,15,20-23,25-28,30-33,36-38H,1,6,9-14H2,2H3/t20?,21?,22-,23+,25+,26+,27-,28+,30+,31-/m1/s1 |
| InChIKey | BAKYVUHOODEWGV-KAZXVHCNSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,54,1173(1991) |
| Literature Reference DOI | 10.1021/np50077a001 |
| Molecular Weight | 620.651 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCS4570 |