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2-(7.beta.-Hydroxy-4,7-dimethyl-(1.alpha.-H),2,3,(4.beta.-H),(4a.alpha.-H)-5,6,7,8,(8a.alpha.-H)-decahydronaphrhalen-1-yl)propionic acid methyl ester

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2-(7.beta.-Hydroxy-4,7-dimethyl-(1.alpha.-H),2,3,(4.beta.-H),(4a.alpha.-H)-5,6,7,8,(8a.alpha.-H)-decahydronaphrhalen-1-yl)propionic acid methyl ester
SpectraBase Compound ID AzAkBZYzfd4
InChI InChI=1S/C16H28O3/c1-10-5-6-13(11(2)15(17)19-4)14-9-16(3,18)8-7-12(10)14/h10-14,18H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,16+/m1/s1
InChIKey XFVHEMACIHLZEB-XBGPERTJSA-N
Mol Weight 268.4 g/mol
Molecular Formula C16H28O3
Exact Mass 268.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXYyzJ49b3K
Name 2-(7.beta.-Hydroxy-4,7-dimethyl-(1.alpha.-H),2,3,(4.beta.-H),(4A.alpha.-H)-5,6,7,8,(8A.alpha.-H)-decahydronaphrhalen-1-yl)propionic acid methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.203844759 u
Formula C16H28O3
InChI InChI=1S/C16H28O3/c1-10-5-6-13(11(2)15(17)19-4)14-9-16(3,18)8-7-12(10)14/h10-14,18H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,16+/m1/s1
InChIKey XFVHEMACIHLZEB-XBGPERTJSA-N
SMILES [C@@]12([C@]([C@](C(=O)OC)(C)[H])(CC[C@]([C@@]2(CC[C@@](C1)(O)C)[H])(C)[H])[H])[H]