| SpectraBase Compound ID | 77kV36QRl47 |
|---|---|
| InChI | InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h12,20-21,23-25,27-29H,8-11,13-19H2,1-7H3 |
| InChIKey | MAIIZFGSYSUIIV-UHFFFAOYSA-N |
| Mol Weight | 456.8 g/mol |
| Molecular Formula | C31H52O2 |
| Exact Mass | 456.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GaFt4Gbh8TZ |
|---|---|
| Name | Stigmast-7-en-3-ol, acetate, (3.beta.,5.alpha.)- |
| CAS Registry Number | 14473-77-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O2 |
| InChI | InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h12,20-21,23-25,27-29H,8-11,13-19H2,1-7H3 |
| InChIKey | MAIIZFGSYSUIIV-UHFFFAOYSA-N |
| Molecular Weight | 456.755 g/mol |
| SMILES | CCC(CCC(C)C1CCC2C1(CCC1C2=CCC2C1(CCC(C2)OC(=O)C)C)C)C(C)C |
| SPLASH | splash10-0a4i-9440500000-26d067123e3a02d76a2b |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | Stigmast-7-en-3-yl acetate 5.alpha.-Stigmast-7-en-3.beta.-ol, acetate Stigmast-7-enyl acetate Acetic acid [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(4-ethyl-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 742799 |