| SpectraBase Compound ID | LMlr6J0atNz |
|---|---|
| InChI | InChI=1S/C27H43NO4/c1-13-7-24-25(28-12-13)15(3)27(32-24)6-5-16-17(14(27)2)8-19-18(16)9-21(29)20-10-22(30)23(31)11-26(19,20)4/h13,15-16,18-25,28-31H,5-12H2,1-4H3/t13-,15?,16?,18?,19?,20+,21+,22-,23-,24+,25-,26+,27-/m0/s1 |
| InChIKey | NOYZMBTXNXGBSR-AHOSPZNVSA-N |
| Mol Weight | 445.6 g/mol |
| Molecular Formula | C27H43NO4 |
| Exact Mass | 445.319209 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CEXWWQhMNdp |
|---|---|
| Name | 2.beta.,3.alpha.,6.beta.-Trihydroxy-5.alpha.-jervanin-12-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H43NO4 |
| InChI | InChI=1S/C27H43NO4/c1-13-7-24-25(28-12-13)15(3)27(32-24)6-5-16-17(14(27)2)8-19-18(16)9-21(29)20-10-22(30)23(31)11-26(19,20)4/h13,15-16,18-25,28-31H,5-12H2,1-4H3/t13-,15?,16?,18?,19?,20+,21+,22-,23-,24+,25-,26+,27-/m0/s1 |
| InChIKey | NOYZMBTXNXGBSR-AHOSPZNVSA-N |
| Molecular Weight | 445.644 g/mol |
| SMILES | O[C@@]1([C@](C[C@]2([C@@](C3CC4=C([C@]5(CCC4C3C[C@]2(O)[H])O[C@@]2(C[C@](C)(CN[C@]2(C5C)[H])[H])[H])C)(C1)C)[H])(O)[H])[H] |
| SPLASH | splash10-03l0-1902000000-def625ff47c272d5de0f |
| Source of Spectrum | E1-38-1092-4 |
| Wiley ID | 1518261 |