SpectraBase Compound ID | 9r7BIFW2mt8 |
---|---|
InChI | InChI=1S/C29H48O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h8,16,19-20,23-27,30H,7,9-15,17-18H2,1-6H3/b21-16-/t20-,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
InChIKey | NMDJZRBBSRYRDS-BIVMDFARSA-N |
Mol Weight | 412.7 g/mol |
Molecular Formula | C29H48O |
Exact Mass | 412.370516 g/mol |
SpectraBase Spectrum ID | GPJAJBte7pN |
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Name | 23-Ethylcholesta-5,23(28)Z-dien-3-ol |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 412.370516165 u |
Formula | C29H48O |
InChI | InChI=1S/C29H48O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h8,16,19-20,23-27,30H,7,9-15,17-18H2,1-6H3/b21-16-/t20-,23?,24+,25-,26+,27+,28+,29-/m1/s1 |
InChIKey | NMDJZRBBSRYRDS-BIVMDFARSA-N |
Molecular Weight | 412.702 g/mol |
SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CCC(O)C4)C)[H])(CC[C@@]1([C@@](C\C(=C/C(C)C)CC)(C)[H])[H])[H])C |