| SpectraBase Compound ID | HUcmKg7WWX5 |
|---|---|
| InChI | InChI=1S/C29H48O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,18,20-21,23-27,30H,3,9-17H2,1-2,4-7H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LWVZSFCUTKJVJC-VJSFXXLFSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C29H48O |
| Exact Mass | 412.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5Byy5VBNMAP |
|---|---|
| Name | Ergost-5-en-3-ol, 23-methylene-, (3.beta.)- |
| Alternate Name(s) | (24R)-23-methylergosta-5,23(29)-dien-3.beta.-ol (3beta)-23-methyleneergost-5-en-3-ol |
| CAS Registry Number | 118335-32-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O |
| InChI | InChI=1S/C29H48O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h8,18,20-21,23-27,30H,3,9-17H2,1-2,4-7H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | LWVZSFCUTKJVJC-VJSFXXLFSA-N |
| Molecular Weight | 412.702 g/mol |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CC([C@@](C(C)C)(C)[H])=C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0api-9142000000-f734319c1ef9c821ea99 |
| Source of Spectrum | J-54-372-11 |
| Wiley ID | 1374811 |