| SpectraBase Compound ID | JcKZ0r74M4n |
|---|---|
| InChI | InChI=1S/C30H52O5/c1-18(17-31)9-8-12-30(7,35)19-10-14-28(5)24(19)20(32)15-22-27(4)13-11-23(34)26(2,3)25(27)21(33)16-29(22,28)6/h9,19-25,31-35H,8,10-17H2,1-7H3/b18-9-/t19-,20+,21-,22?,23-,24?,25?,27+,28+,29+,30?/m0/s1 |
| InChIKey | LYMCCADDHDZEQJ-FFBIBELCSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C30H52O5 |
| Exact Mass | 492.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Ys7YaHcRcO |
|---|---|
| Name | 27-HYDROXYL-20-(S)-PROTOPANAXATRIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H52O5 |
| InChI | InChI=1S/C30H52O5/c1-18(17-31)9-8-12-30(7,35)19-10-14-28(5)24(19)20(32)15-22-27(4)13-11-23(34)26(2,3)25(27)21(33)16-29(22,28)6/h9,19-25,31-35H,8,10-17H2,1-7H3/b18-9-/t19-,20+,21-,22?,23-,24?,25?,27+,28+,29+,30?/m0/s1 |
| InChIKey | LYMCCADDHDZEQJ-FFBIBELCSA-N |
| Literature Reference Author | Y.TIAN,H.GUO,J.HAN,D.GUO |
| Literature Reference Citation | J.NAT.PROD.,68,678(2005) |
| Literature Reference DOI | 10.1021/np049688+ |
| Molecular Weight | 492.740 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ9861 |