| SpectraBase Spectrum ID |
J08S8YnjAyH |
| Name |
Ergosta-8(14),22-diene-3,7-diol, 3-acetate, (3.beta.,5.alpha.,7.alpha.,22E)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.360345403 u |
| Formula |
C30H48O3 |
| InChI |
InChI=1S/C30H48O3/c1-18(2)19(3)8-9-20(4)24-10-11-25-28-26(13-15-30(24,25)7)29(6)14-12-23(33-21(5)31)16-22(29)17-27(28)32/h8-9,18-20,22-24,26-27,32H,10-17H2,1-7H3/b9-8-/t19-,20+,22+,23-,24+,26-,27+,29-,30+/m0/s1 |
| InChIKey |
GNFYIKHKTZCKJR-PHIRCFFZSA-N |
| Molecular Weight |
456.711 g/mol |
| SMILES |
C12=C3[C@]([C@]4(CC[C@](OC(=O)C)(C[C@@]4(C[C@]3(O)[H])[H])[H])C)([H])CC[C@@]2([C@@]([C@@](\C=C/[C@@](C(C)C)(C)[H])(C)[H])(CC1)[H])C |
