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1,7-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-2-(1-hydroxy-1-methylethyl)-4a,8-dimethyl- , 7-acetate, [1R-(1.alpha.,2.beta.,4a.beta.,7.alpha.)]-
SpectraBase Compound ID Aoa5CDDkJph
InChI InChI=1S/C17H28O4/c1-10-13(21-11(2)18)7-9-17(5)8-6-12(16(3,4)20)15(19)14(10)17/h12-13,15,19-20H,6-9H2,1-5H3/t12-,13-,15+,17+/m0/s1
InChIKey PVFLIQHWDOLUGO-YOKBYHGQSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8O7dug6Ww4
Name 1,7-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-2-(1-hydroxy-1-methylethyl)-4a,8-dimethyl- , 7-acetate, [1R-(1.alpha.,2.beta.,4a.beta.,7.alpha.)]-
Alternate Name(s) (2S,4aR,7S,8R)-8-hydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl acetate Isochenopotriol(3)monoacetate
CAS Registry Number 74799-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-10-13(21-11(2)18)7-9-17(5)8-6-12(16(3,4)20)15(19)14(10)17/h12-13,15,19-20H,6-9H2,1-5H3/t12-,13-,15+,17+/m0/s1
InChIKey PVFLIQHWDOLUGO-YOKBYHGQSA-N
Molecular Weight 296.407 g/mol
SMILES OC([C@]1(CC[C@@]2(CC[C@@](C(=C2[C@@]1(O)[H])C)(OC(=O)C)[H])C)[H])(C)C
SPLASH splash10-06r2-7910000000-c633387cbeb5a993b5ec
Source of Spectrum F-36-375-0
Wiley ID 1299177