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1,2,8-Naphthalenetriol, decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, 2-acetate, [1S-(1.alpha.,2.alpha.,4a.beta.,7.beta.,8.alpha.,8a.alpha.)]-
SpectraBase Compound ID 7Omso7e5bUr
InChI InChI=1S/C17H30O5/c1-10(18)22-12-7-9-16(4)8-6-11(15(2,3)20)13(19)14(16)17(12,5)21/h11-14,19-21H,6-9H2,1-5H3/t11-,12-,13+,14-,16+,17-/m1/s1
InChIKey VDZYXJHGAUCIFC-PHSLWLBTSA-N
Mol Weight 314.42 g/mol
Molecular Formula C17H30O5
Exact Mass 314.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JZByqIkL9y
Name 1,2,8-Naphthalenetriol, decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-, 2-acetate, [1S-(1.alpha.,2.alpha.,4a.beta.,7.beta.,8.alpha.,8a.alpha.)]-
Alternate Name(s) (1S,2R,4aS,7R,8S,8aS)-1,8-dihydroxy-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyldecahydro-2-naphthalenyl acetate Chenopotetraol(3)monoacetate
CAS Registry Number 74799-40-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H30O5
InChI InChI=1S/C17H30O5/c1-10(18)22-12-7-9-16(4)8-6-11(15(2,3)20)13(19)14(16)17(12,5)21/h11-14,19-21H,6-9H2,1-5H3/t11-,12-,13+,14-,16+,17-/m1/s1
InChIKey VDZYXJHGAUCIFC-PHSLWLBTSA-N
Molecular Weight 314.422 g/mol
SMILES OC([C@@]1(CC[C@]2(CC[C@]([C@]([C@@]2([C@]1(O)[H])[H])(O)C)(OC(=O)C)[H])C)[H])(C)C
SPLASH splash10-0bta-3910000000-d1c87e378b46782babf4
Source of Spectrum F-36-375-0
Wiley ID 1315037