| SpectraBase Compound ID | LBAveNhUQaG |
|---|---|
| InChI | InChI=1S/C28H46O3/c1-18(11-14-26(3,4)30)23-9-10-24-22-8-7-20-17-21(31-19(2)29)12-15-27(20,5)25(22)13-16-28(23,24)6/h7,18,21-25,30H,8-17H2,1-6H3 |
| InChIKey | BMMFFUBMNOPKIZ-UHFFFAOYSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4v58PqwScSu |
|---|---|
| Name | 26,27-Dinorergost-5-ene-3,24-diol, 3-acetate, (3.beta.)- |
| CAS Registry Number | 35882-86-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H46O3 |
| InChI | InChI=1S/C28H46O3/c1-18(11-14-26(3,4)30)23-9-10-24-22-8-7-20-17-21(31-19(2)29)12-15-27(20,5)25(22)13-16-28(23,24)6/h7,18,21-25,30H,8-17H2,1-6H3 |
| InChIKey | BMMFFUBMNOPKIZ-UHFFFAOYSA-N |
| Molecular Weight | 430.673 g/mol |
| SMILES | OC(C)(C)CCC(C1C2(C(C3C(C4(CCC(CC4=CC3)OC(C)=O)C)CC2)CC1)C)C |
| SPLASH | splash10-05fr-7925000000-75debd55d83d794e5a38 |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | Acetic acid [17-(5-hydroxy-5-methylhexan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [17-(5-hydroxy-5-methylhexan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [17-(4-hydroxy-1,4-dimethyl-pentyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [10,13-dimethyl-17-(5-methyl-5-oxidanyl-hexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1381753 |