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Nimolinin
SpectraBase Compound ID KoYDgSzydc6
InChI InChI=1S/C20H28O3/c1-12(2)13-9-14-15(10-16(13)21)19(5)8-6-7-18(3,4)20(19,23)11-17(14)22/h9-10,12,21,23H,6-8,11H2,1-5H3/t19-,20-/m1/s1
InChIKey WOSMVRQDGSGWRR-WOJBJXKFSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 78gZcocxv7S
Name Nimolinin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(2)13-9-14-15(10-16(13)21)19(5)8-6-7-18(3,4)20(19,23)11-17(14)22/h9-10,12,21,23H,6-8,11H2,1-5H3/t19-,20-/m1/s1
InChIKey WOSMVRQDGSGWRR-WOJBJXKFSA-N
Molecular Weight 316.441 g/mol
SMILES Oc1cc2[C@@]3([C@@](CC(c2cc1C(C)C)=O)(C(CCC3)(C)C)O)C
SPLASH splash10-0udi-0090000000-a85702f0f6e2742ecda4
Source of Spectrum X2-52-1213-3
Synonyms (4aR,10aR)-6,10a-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,10-tetrahydrophenanthren-9-one (4aR,10aR)-1,1,4a-trimethyl-6,10a-bis(oxidanyl)-7-propan-2-yl-2,3,4,10-tetrahydrophenanthren-9-one
Wiley ID 1603312