| SpectraBase Compound ID | 9Wvx8Fihj6D |
|---|---|
| InChI | InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1 |
| InChIKey | HLAWVOWADPNAGN-BAHZUFOISA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9OsTLg9Ey5k |
|---|---|
| Name | 4.alpha.-Methyl-5.alpha.-ergosta-8,14,24(24')-trien-3.beta.-ol |
| Alternate Name(s) | (3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methyleneheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,4S,5S,10S,13R,17R)-17-[(1R)-1,5-dimethyl-4-methylene-hexyl]-4,10,13-trimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,4S,5S,10S,13R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H46O |
| InChI | InChI=1S/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3/t20-,21+,23-,24+,27+,28-,29+/m1/s1 |
| InChIKey | HLAWVOWADPNAGN-BAHZUFOISA-N |
| Molecular Weight | 410.686 g/mol |
| SMILES | O[C@@]1([C@]([C@@]2(CCC3=C([C@]2(CC1)C)CC[C@]1(C3=CC[C@@]1([C@@](CCC(=C)C(C)C)(C)[H])[H])C)[H])(C)[H])[H] |
| SPLASH | splash10-0cdi-9013400000-ca7440e654830282af4c |
| Source of Spectrum | KC-0-499-2 |
| Wiley ID | 827456 |