SpectraBase Compound ID | JKtkzf9dk2S |
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InChI | InChI=1S/C27H44O6/c1-15(2)13-22(29)32-21-11-12-27(8,33-18(6)28)25-24-19(16(3)4)10-9-17(5)23(24)20(31-25)14-26(21,7)30/h15-16,19-21,23-25,30H,5,9-14H2,1-4,6-8H3/t19-,20-,21+,23?,24?,25-,26+,27-/m1/s1 |
InChIKey | IZNFBGOWIHKKIZ-MMYZEDFZSA-N |
Mol Weight | 464.6 g/mol |
Molecular Formula | C27H44O6 |
Exact Mass | 464.313789 g/mol |
SpectraBase Spectrum ID | H8YYIT9l3dE |
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Name | 3-Acetoxy-6-[(3'-methylbutanoyl)oxy]-Cladiell-11(17)-en-7-ol |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H44O6 |
InChI | InChI=1S/C27H44O6/c1-15(2)13-22(29)32-21-11-12-27(8,33-18(6)28)25-24-19(16(3)4)10-9-17(5)23(24)20(31-25)14-26(21,7)30/h15-16,19-21,23-25,30H,5,9-14H2,1-4,6-8H3/t19-,20-,21+,23?,24?,25-,26+,27-/m1/s1 |
InChIKey | IZNFBGOWIHKKIZ-MMYZEDFZSA-N |
Molecular Weight | 464.643 g/mol |
SMILES | O[C@]1(C[C@]2(O[C@](C3C2C(=C)CC[C@@]3(C(C)C)[H])([C@](OC(=O)C)(CC[C@@]1(OC(=O)CC(C)C)[H])C)[H])[H])C |
SPLASH | splash10-015i-9046100000-d5e64ceedd6669b9d68a |
Source of Spectrum | X2-57-578-2 |
Wiley ID | 1605420 |