| SpectraBase Compound ID | 2MNbk1qaib2 |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19,21,23-28H,3,8-18H2,1-2,4-7H3/t21-,23?,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | RHKAFUVNSPSADM-LLACCSHGSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2ZpHQBrymM6 |
|---|---|
| Name | 3.beta.-Acetoxy-5.alpha.-ergost-24(28)-ene |
| Alternate Name(s) | (3beta)-ergost-24(28)-en-3-yl acetate |
| CAS Registry Number | 39832-67-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h19,21,23-28H,3,8-18H2,1-2,4-7H3/t21-,23?,24+,25+,26-,27+,28+,29+,30-/m1/s1 |
| InChIKey | RHKAFUVNSPSADM-LLACCSHGSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC(=C)C(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-0aor-0019100000-7d7c6f2c0fb478d12d75 |
| Source of Spectrum | K-109-2888-0 |
| Wiley ID | 1385580 |