| SpectraBase Compound ID | uMtpc1BarN |
|---|---|
| InChI | InChI=1S/C33H54O5/c1-10-37-30(4,5)27(35)24-19-20(28(36-9)38-24)21-13-17-33(8)23-11-12-25-29(2,3)26(34)15-16-31(25,6)22(23)14-18-32(21,33)7/h11,20-22,24-25,27-28,35H,10,12-19H2,1-9H3/t20-,21-,22-,24+,25-,27-,28+,31+,32-,33+/m0/s1 |
| InChIKey | IEADIJMEMLHLGI-RIOGBNSVSA-N |
| Mol Weight | 530.8 g/mol |
| Molecular Formula | C33H54O5 |
| Exact Mass | 530.397125 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8837FeWXKtH |
|---|---|
| Name | 21,23-epoxy-21-.alpha.-methoxy-24-hydroxy-25-ethoxy-17H-Lanost-7-ene-3-one |
| Alternate Name(s) | (5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-2-ethoxy-1-hydroxy-2-methylpropyl]-2-methoxy-3-oxolanyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((S)-2-ethoxy-1-hydroxy-2-methylpropyl)-2-methoxytetrahydrofuran-3-yl)-4,4,10,13,14-pentamethyl-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phe (5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-2-ethoxy-1-hydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one (5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(1S)-2-ethoxy-2-methyl-1-oxidanyl-propyl]-2-methoxy-oxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54O5 |
| InChI | InChI=1S/C33H54O5/c1-10-37-30(4,5)27(35)24-19-20(28(36-9)38-24)21-13-17-33(8)23-11-12-25-29(2,3)26(34)15-16-31(25,6)22(23)14-18-32(21,33)7/h11,20-22,24-25,27-28,35H,10,12-19H2,1-9H3/t20-,21-,22-,24+,25-,27-,28+,31+,32-,33+/m0/s1 |
| InChIKey | IEADIJMEMLHLGI-RIOGBNSVSA-N |
| Literature Reference DOI | 10.1248/cpb.59.1003 |
| Molecular Weight | 530.790 g/mol |
| SMILES | O[C@@]([C@]1(C[C@@]([C@@]2(CC[C@]3(C)C4=CC[C@@]5([H])C(C(=O)CC[C@]5(C)[C@@]4([H])CC[C@@]23C)(C)C)[H])([C@@](O1)(OC)[H])[H])[H])(C(C)(C)OCC)[H] |
| SPLASH | splash10-06ri-9012300000-84b0235c90654ff0fb6d |
| Source of Spectrum | E1-59-1007-5 |
| Wiley ID | 1743708 |