| SpectraBase Compound ID | E1AxB842xFr |
|---|---|
| InChI | InChI=1S/C27H38O3/c1-17(6-7-18(2)25(29)30-5)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h6-7,12,14,16-18,21-24H,8-11,13,15H2,1-5H3/b7-6+/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SPYDBHQUKUZVQJ-MDNIRYJNSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C27H38O3 |
| Exact Mass | 410.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Gf7QkyAz15E |
|---|---|
| Name | Methyl (22E)-3-oxo-norcholesta-1,4,22-trien-26-oate |
| Alternate Name(s) | (E,5R)-5-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-hexenoic acid methyl ester Methyl (E,5R)-5-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhex-3-enoate Methyl (E,5R)-5-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hex-3-enoate Methyl (E,5R)-5-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-hex-3-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H38O3 |
| InChI | InChI=1S/C27H38O3/c1-17(6-7-18(2)25(29)30-5)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h6-7,12,14,16-18,21-24H,8-11,13,15H2,1-5H3/b7-6+/t17-,18?,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SPYDBHQUKUZVQJ-MDNIRYJNSA-N |
| Molecular Weight | 410.598 g/mol |
| SMILES | [C@@]12(C(=CC(C=C2)=O)CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](\C=C\C(C(=O)OC)C)(C)[H])[H])[H])[H])C |
| SPLASH | splash10-00di-0910100000-2d6eaea4606e9778c717 |
| Source of Spectrum | X2-68-1114-5 |
| Wiley ID | 1609628 |