SpectraBase Compound ID | LZoRSmAGjK8 |
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InChI | InChI=1S/C26H44O2/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(11-12-26(20,21)5)25(4)13-14-28-16-19(25)15-23(24)27/h15,17-18,20-24,27H,6-14,16H2,1-5H3/t18-,20-,21+,22+,23+,24+,25+,26-/m1/s1 |
InChIKey | ABYRUCJMTDEDRY-UDBIBJKXSA-N |
Mol Weight | 388.6 g/mol |
Molecular Formula | C26H44O2 |
Exact Mass | 388.334131 g/mol |
SpectraBase Spectrum ID | 4mApSAtXuEh |
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Name | (1R,3aS,3bS,4R,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]isochromen-4-ol |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C26H44O2 |
InChI | InChI=1S/C26H44O2/c1-17(2)7-6-8-18(3)20-9-10-21-24-22(11-12-26(20,21)5)25(4)13-14-28-16-19(25)15-23(24)27/h15,17-18,20-24,27H,6-14,16H2,1-5H3/t18-,20-,21+,22+,23+,24+,25+,26-/m1/s1 |
InChIKey | ABYRUCJMTDEDRY-UDBIBJKXSA-N |
Molecular Weight | 388.636 g/mol |
SMILES | O[C@]1(C=C2[C@@]([C@]3(CC[C@]4([C@]([C@]13[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCOC2)C)[H] |
SPLASH | splash10-03ki-0609000000-1e5294c02f4cd2f4f554 |
Source of Spectrum | KC-1992-3123-6 |
Synonyms | (1R,3aS,3bS,4R,9aR,9bS,11aR)-1-[(1R)-1,5-dimethylhexyl]-9a,11a-dimethyl-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroinden[5,4-f]isochromen-4-ol (1R,3aS,3bS,4R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f]isochromen-4-ol (1R,3aS,3bS,4R,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,3b,4,6,8,9,9b,10,11-dodecahydroindeno[5,4-f][2]benzopyran-4-ol |
Wiley ID | 777337 |