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1,8-Naphthalenediol, decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, 1-acetate, [1R-(1.alpha.,4a.beta.,7.beta.,8.alpha.,8a.alpha.)]-
SpectraBase Compound ID BlIx7lLmdoL
InChI InChI=1S/C17H30O4/c1-11(18)21-17(5)9-6-8-16(4)10-7-12(15(2,3)20)13(19)14(16)17/h12-14,19-20H,6-10H2,1-5H3/t12-,13+,14-,16-,17-/m1/s1
InChIKey YUMLFEDZZCOBGJ-AEKWLRTRSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKqwcH8cWEc
Name 1,8-Naphthalenediol, decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, 1-acetate, [1R-(1.alpha.,4a.beta.,7.beta.,8.alpha.,8a.alpha.)]-
Alternate Name(s) (1R,4aR,7R,8S,8aS)-8-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyldecahydro-1-naphthalenyl acetate Pygmol(4)monoacetate
CAS Registry Number 74799-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-11(18)21-17(5)9-6-8-16(4)10-7-12(15(2,3)20)13(19)14(16)17/h12-14,19-20H,6-10H2,1-5H3/t12-,13+,14-,16-,17-/m1/s1
InChIKey YUMLFEDZZCOBGJ-AEKWLRTRSA-N
Molecular Weight 298.423 g/mol
SMILES OC([C@@]1(CC[C@]2(CCC[C@]([C@@]2([C@]1(O)[H])[H])(OC(=O)C)C)C)[H])(C)C
SPLASH splash10-07vi-1940000000-a55eb8bb1d4e6c9ae63d
Source of Spectrum F-36-374-0
Wiley ID 1301012