| SpectraBase Compound ID | FMzE5o1n1mR |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(32)14-15-29(22,6)27(24)17-28(30(25,26)7)33-21(5)31/h10,18-20,23-28,32H,8-9,11-17H2,1-7H3 |
| InChIKey | VMGLLNYKUMLVKN-UHFFFAOYSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | lBiFlDDmIv |
|---|---|
| Name | Ergost-5-ene-3,12-diol, 12-acetate, (3.beta.,12.alpha.)- |
| CAS Registry Number | 56052-09-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(32)14-15-29(22,6)27(24)17-28(30(25,26)7)33-21(5)31/h10,18-20,23-28,32H,8-9,11-17H2,1-7H3 |
| InChIKey | VMGLLNYKUMLVKN-UHFFFAOYSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | OC1CC=2C(C3C(C4C(C)(C(OC(C)=O)C3)C(C(CCC(C(C)C)C)C)CC4)CC2)(C)CC1 |
| SPLASH | splash10-052g-9822000000-f96717908cc3a6c2330e |
| Source of Spectrum | SD-1981-0-0 |
| Synonyms | 3-Hydroxyergost-5-en-12-yl acetate Acetic acid [17-(5,6-dimethylheptan-2-yl)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl] ester [17-(5,6-dimethylheptan-2-yl)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate [3-hydroxy-10,13-dimethyl-17-(1,4,5-trimethylhexyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate [17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl] ethanoate |
| Wiley ID | 1390026 |