| SpectraBase Compound ID | J8xLywFodGb |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23-,24+,25+,26+,27+/m1/s1 |
| InChIKey | IRRHFODGOMSPEE-BEOZTXAWSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2hj2ZlB3zht |
|---|---|
| Name | 16,28-Secosolanid-5-ene-3,16-diol, (3beta,16beta,22alpha,25beta)- |
| CAS Registry Number | 6785-55-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23-,24+,25+,26+,27+/m1/s1 |
| InChIKey | IRRHFODGOMSPEE-BEOZTXAWSA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@]([C@@]4(NCC(CC4)C)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-0002-9100000000-a7d1482bb6d0be467352 |
| Source of Spectrum | B-32-794-0 |
| Wiley ID | 1376089 |