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3a,6-Ethano-3aH-indene-4-propanal, octahydro-7a-hydroxy-1,5,5-trimethyl-, [1S-(1.alpha.,3a.beta.,4.beta.,6.beta.,7a.alpha.)]-
SpectraBase Compound ID 3XfMKZ7G6tC
InChI InChI=1S/C17H28O2/c1-12-6-8-16-9-7-13(11-17(12,16)19)15(2,3)14(16)5-4-10-18/h10,12-14,19H,4-9,11H2,1-3H3/t12-,13+,14-,16+,17-/m0/s1
InChIKey FTRRJAOHCDYBLT-NHMCJKAESA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eUXSy4gGBe
Name 3a,6-Ethano-3aH-indene-4-propanal, octahydro-7a-hydroxy-1,5,5-trimethyl-, [1S-(1.alpha.,3a.beta.,4.beta.,6.beta.,7a.alpha.)]-
CAS Registry Number 90836-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-12-6-8-16-9-7-13(11-17(12,16)19)15(2,3)14(16)5-4-10-18/h10,12-14,19H,4-9,11H2,1-3H3/t12-,13+,14-,16+,17-/m0/s1
InChIKey FTRRJAOHCDYBLT-NHMCJKAESA-N
Molecular Weight 264.409 g/mol
SMILES O[C@@]12[C@]3([C@](C(C)(C)[C@@](CC3)([H])C1)(CCC=O)[H])CC[C@@]2(C)[H]
SPLASH splash10-0zfr-0960000000-231d80a65497ef6d1baa
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]propanal Methyl ester of ereman-4-ene acid
Wiley ID 1268438