| SpectraBase Compound ID | kJHw9wpPhV |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20?,21?,22?,23-,26-,27-,28-,29+,30-/m0/s1 |
| InChIKey | PGOYMURMZNDHNS-AAORSTCHSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EDFylaAsxeZ |
|---|---|
| Name | Hedergenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20?,21?,22?,23-,26-,27-,28-,29+,30-/m0/s1 |
| InChIKey | PGOYMURMZNDHNS-AAORSTCHSA-N |
| Molecular Weight | 472.710 g/mol |
| SMILES | OC([C@@]12CCC(CC2C=2[C@@]([C@@]3(CCC4[C@@]([C@](CC[C@@]4(C3CC2)C)(O)[H])(CO)C)C)(CC1)C)(C)C)=O |
| SPLASH | splash10-0udj-0090000000-7f676a366157a8c8ef1f |
| Source of Spectrum | QA-48-386-8 |
| Wiley ID | 863415 |