SpectraBase Compound ID | KIpjpdMP4Ew |
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InChI | InChI=1S/C29H36O6/c1-19-27(33-16-21-10-6-4-7-11-21)26-24(20(2)30)14-23(31)15-25(26)29(35-18-32-3)28(19)34-17-22-12-8-5-9-13-22/h4-14,19,23,25-29,31H,15-18H2,1-3H3/t19-,23-,25-,26+,27-,28-,29-/m1/s1 |
InChIKey | XIAYKMAMIXEOBS-DURVYOSZSA-N |
Mol Weight | 480.6 g/mol |
Molecular Formula | C29H36O6 |
Exact Mass | 480.251189 g/mol |
SpectraBase Spectrum ID | 1YhJxuYgkef |
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Name | 1-[(3S,4aR,5R,6R,7R,8S,8aR)-3-hydroxy-5-(methoxymethoxy)-7-methyl-6,8-bis(phenylmethoxy)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H36O6 |
InChI | InChI=1S/C29H36O6/c1-19-27(33-16-21-10-6-4-7-11-21)26-24(20(2)30)14-23(31)15-25(26)29(35-18-32-3)28(19)34-17-22-12-8-5-9-13-22/h4-14,19,23,25-29,31H,15-18H2,1-3H3/t19-,23-,25-,26+,27-,28-,29-/m1/s1 |
InChIKey | XIAYKMAMIXEOBS-DURVYOSZSA-N |
Molecular Weight | 480.601 g/mol |
SMILES | O[C@]1(C[C@@]2([C@](C(=C1)C(=O)C)([C@@]([C@@](C)([C@]([C@@]2(OCOC)[H])(OCc1ccccc1)[H])[H])(OCc1ccccc1)[H])[H])[H])[H] |
SPLASH | splash10-0006-9000000000-27eee3e279cac0e07061 |
Source of Spectrum | KC-57-3054-21 |
Synonyms | 1-[(3S,4aR,5R,6R,7R,8S,8aR)-5-(methoxymethoxy)-7-methyl-3-oxidanyl-6,8-bis(phenylmethoxy)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone 1-[(3S,4aR,5R,6R,7R,8S,8aR)-6,8-dibenzoxy-3-hydroxy-5-(methoxymethoxy)-7-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone 1-[(3S,4aR,5R,6R,7R,8S,8aR)-6,8-dibenzyloxy-3-hydroxy-5-(methoxymethoxy)-7-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone |
Wiley ID | 1623697 |