SpectraBase Compound ID | 5YbvH2Bgkuc |
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InChI | InChI=1S/C32H54O2/c1-11-32(10)28(5,6)26(34-23(4)33)15-17-31(32,9)24-12-13-25-27-22(3)21(2)14-16-29(27,7)18-19-30(25,8)20-24/h22,24-27H,2,11-20H2,1,3-10H3/t22-,24-,25+,26?,27-,29+,30-,31?,32-/m0/s1 |
InChIKey | ZKIWUSDIVHVOQN-MJGBVORHSA-N |
Mol Weight | 470.8 g/mol |
Molecular Formula | C32H54O2 |
Exact Mass | 470.412381 g/mol |
SpectraBase Spectrum ID | DKquwnrWvND |
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Name | Plucheaursenyl acetate [4,5-seco-18.beta.H-urs-20(30)en-3.beta.-yl acetate] |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C32H54O2 |
InChI | InChI=1S/C32H54O2/c1-11-32(10)28(5,6)26(34-23(4)33)15-17-31(32,9)24-12-13-25-27-22(3)21(2)14-16-29(27,7)18-19-30(25,8)20-24/h22,24-27H,2,11-20H2,1,3-10H3/t22-,24-,25+,26?,27-,29+,30-,31?,32-/m0/s1 |
InChIKey | ZKIWUSDIVHVOQN-MJGBVORHSA-N |
Molecular Weight | 470.782 g/mol |
SMILES | [C@@]1(C([C@@]2(C[C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])([C@](C(CC4)=C)(C)[H])[H])C)C)[H])(CCC(C1(C)C)OC(=O)C)C)(CC)C |
SPLASH | splash10-0006-9610000000-5c7fbb1707cc5c3b8219 |
Source of Spectrum | Y1-40-703-1 |
Wiley ID | 1564824 |