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3a,6-Ethano-3aH-indene-4-propanoic acid, octahydro-7a-hydroxy-1,5,5-trimethyl-, [1S-(1.alpha.,3a.beta.,4.beta.,6.beta.,7a.alpha.)]-
SpectraBase Compound ID DhydXioLLi8
InChI InChI=1S/C17H28O3/c1-11-6-8-16-9-7-12(10-17(11,16)20)15(2,3)13(16)4-5-14(18)19/h11-13,20H,4-10H2,1-3H3,(H,18,19)/t11-,12+,13-,16+,17-/m0/s1
InChIKey QFQIAOAXEHSEDC-DCRFOKDXSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7tPv9NSNTJ
Name 3a,6-Ethano-3aH-indene-4-propanoic acid, octahydro-7a-hydroxy-1,5,5-trimethyl-, [1S-(1.alpha.,3a.beta.,4.beta.,6.beta.,7a.alpha.)]-
CAS Registry Number 90836-08-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-11-6-8-16-9-7-12(10-17(11,16)20)15(2,3)13(16)4-5-14(18)19/h11-13,20H,4-10H2,1-3H3,(H,18,19)/t11-,12+,13-,16+,17-/m0/s1
InChIKey QFQIAOAXEHSEDC-DCRFOKDXSA-N
Molecular Weight 280.408 g/mol
SMILES OC(CC[C@@]1([C@@]23[C@](C[C@](C1(C)C)(CC3)[H])([C@](CC2)(C)[H])O)[H])=O
SPLASH splash10-053r-0910000000-82f52714c503fb8eb3ae
Source of Spectrum B-37-789-0
Synonyms 3-[(1S,4S,5S,7R,9S)-5-hydroxy-4,8,8-trimethyltricyclo[5.2.2.0(1,5)]undec-9-yl]propanoic acid Monohydroxy-t-butyl ammonium salt of eremane hydroxy acid
Wiley ID 1284173