| SpectraBase Compound ID | 7YPs3N2rM5L |
|---|---|
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19?,21-,22?,23?,24?,25-,26?,27-,28+/m0/s1 |
| InChIKey | OIBDKISTMGYAJC-RVBZNCOESA-N |
| Mol Weight | 414.7 g/mol |
| Molecular Formula | C28H46O2 |
| Exact Mass | 414.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LTOY8Mde4b5 |
|---|---|
| Name | Annaster-3.beta.,7.beta-diol |
| Alternate Name(s) | Annaster-3.beta.,7..beta.-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O2 |
| InChI | InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-17,19,21-26,29-30H,3,7-15H2,1-2,4-6H3/t19?,21-,22?,23?,24?,25-,26?,27-,28+/m0/s1 |
| InChIKey | OIBDKISTMGYAJC-RVBZNCOESA-N |
| Molecular Weight | 414.674 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=C[C@@](C3C2CC[C@]2(C3CCC2C(CCC(=C)C(C)C)C)C)(O)[H])C1)C)[H] |
| SPLASH | splash10-0002-0039000000-02579342b9816223bb2e |
| Source of Spectrum | AT-36-132-5 |
| Wiley ID | 853074 |