SpectraBase Compound ID | KqOiD6MQIMq |
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InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3 |
InChIKey | HCXVJBMSMIARIN-UHFFFAOYSA-N |
Mol Weight | 412.7 g/mol |
Molecular Formula | C29H48O |
Exact Mass | 412.370516 g/mol |
SpectraBase Spectrum ID | 3s1n27UcZC3 |
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Name | Stigmasterol |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H48O |
InChI | InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3 |
InChIKey | HCXVJBMSMIARIN-UHFFFAOYSA-N |
Ionization Type | EI-B |
Molecular Weight | 412.702 g/mol |
SMILES | OC1CC2=CCC3C(CCC4(C)C(C(C=CC(CC)C(C)C)C)CCC34)C2(C)CC1 |
SPLASH | splash10-0a59-9731000000-1cce9fad5202155dc16d |
Source of Spectrum | SRH-2022-8291-0 |
Wiley ID | 1829993 |