| SpectraBase Compound ID | aUoSSiRgOd |
|---|---|
| InChI | InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20?,21-,22+,23-,24+,25+,27+,28-,29-,30+/m1/s1 |
| InChIKey | PYXFVCFISTUSOO-RAMMXVMKSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C30H52O3 |
| Exact Mass | 460.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FziAGD8Kncv |
|---|---|
| Name | 20-(S)-protopanaxadiol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.391645531 u |
| Formula | C30H52O3 |
| InChI | InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20?,21-,22+,23-,24+,25+,27+,28-,29-,30+/m1/s1 |
| InChIKey | PYXFVCFISTUSOO-RAMMXVMKSA-N |
| Instrument Name | LCMS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/jssc.201700909 |
| Molecular Weight | 460.743 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(C[C@]([C@@]4(C([C@@](CCC=C(C)C)(C)O)CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)[H])(O)[H])[H])C)[H] |
| SPLASH | splash10-056r-0006900000-331cd2d54b0213f10fab |
| Source of Spectrum | SEP-40-4505-PPD, IS (DOI: 10.1002/jssc.201700909) |
| Wiley ID | 1902647 |