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(3aR,5aR,8R,9aR)-3a,4,5a,8,9,9a-Hexahydro-8-hydroxy-3a,5a,6-trimethyl-2H-benz[e]indene-2,5(3H)-dione
SpectraBase Compound ID JCWSRGzxY47
InChI InChI=1S/C16H20O3/c1-9-4-10(17)5-13-12-6-11(18)7-15(12,2)8-14(19)16(9,13)3/h4,6,10,13,17H,5,7-8H2,1-3H3/t10-,13+,15+,16-/m0/s1
InChIKey TUZVPCAHDPUSNW-YWSWHFDRSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRCcQtsktTs
Name (3aR,5aR,8R,9aR)-3a,4,5a,8,9,9a-Hexahydro-8-hydroxy-3a,5a,6-trimethyl-2H-benz[e]indene-2,5(3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-9-4-10(17)5-13-12-6-11(18)7-15(12,2)8-14(19)16(9,13)3/h4,6,10,13,17H,5,7-8H2,1-3H3/t10-,13+,15+,16-/m0/s1
InChIKey TUZVPCAHDPUSNW-YWSWHFDRSA-N
Literature Reference DOI 10.1021/ol070994z
Molecular Weight 260.333 g/mol
SMILES O[C@@]1(C[C@@]2(C=3[C@](CC(=O)[C@@]2(C)C(C)=C1)(C)CC(C3)=O)[H])[H]
SPLASH splash10-0lyk-2390000000-095a69b4e6489fffdbd8
Source of Spectrum A1-9-2843/SMS6-31b
Synonyms (3aR,5aR,8R,9aR)-8-hydroxy-3a,5a,6-trimethyl-3a,4,5a,8,9,9a-hexahydro-2H-cyclopenta[a]naphthalene-2,5(3H)-dione
Wiley ID 1758272