SpectraBase Compound ID | 3xoKcn5XImK |
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InChI | InChI=1S/C26H38O4/c1-17(2)21-10-11-26(4)22(13-20(27)14-23(26)25(21)29)24(28)12-18(3)15-30-16-19-8-6-5-7-9-19/h5-9,17-18,21-23,25,29H,10-16H2,1-4H3/t18-,21+,22-,23-,25-,26-/m0/s1 |
InChIKey | MVNMWFNLSYNZLU-PCSPCGPNSA-N |
Mol Weight | 414.6 g/mol |
Molecular Formula | C26H38O4 |
Exact Mass | 414.27701 g/mol |
SpectraBase Spectrum ID | I7BWfNx9Shx |
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Name | (4R,4aR,7R,8S,8aR)-4-[(3S)-4-benzoxy-3-methyl-butanoyl]-8-hydroxy-7-isopropyl-4a-methyl-decalin-2-one |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C26H38O4 |
InChI | InChI=1S/C26H38O4/c1-17(2)21-10-11-26(4)22(13-20(27)14-23(26)25(21)29)24(28)12-18(3)15-30-16-19-8-6-5-7-9-19/h5-9,17-18,21-23,25,29H,10-16H2,1-4H3/t18-,21+,22-,23-,25-,26-/m0/s1 |
InChIKey | MVNMWFNLSYNZLU-PCSPCGPNSA-N |
Molecular Weight | 414.586 g/mol |
SMILES | O[C@@]1([C@]2([C@]([C@](C(C[C@@](COCc3ccccc3)(C)[H])=O)(CC(=O)C2)[H])(CC[C@@]1(C(C)C)[H])C)[H])[H] |
SPLASH | splash10-0006-9100000000-4a093b598b770ee13fc7 |
Source of Spectrum | AH-125-1007-24 |
Synonyms | (4R,4aR,7R,8S,8aR)-4-[(3S)-4-benzyloxy-3-methyl-butanoyl]-8-hydroxy-7-isopropyl-4a-methyl-decalin-2-one (4R,4aR,7R,8S,8aR)-4a-methyl-4-[(3S)-3-methyl-4-phenylmethoxy-butanoyl]-8-oxidanyl-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one (4R,4aR,7R,8S,8aR)-8-hydroxy-4a-methyl-4-[(3S)-3-methyl-1-oxo-4-phenylmethoxybutyl]-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one (4R,4aR,7R,8S,8aR)-8-hydroxy-4a-methyl-4-[(3S)-3-methyl-4-phenylmethoxybutanoyl]-7-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one |
Wiley ID | 1375630 |