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SPONGIAN-16-ONE
SpectraBase Compound ID 3OuhOMrlyXZ
InChI InChI=1S/C20H32O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h13-16H,5-12H2,1-4H3/t13-,14-,15+,16+,19+,20+/m1/s1
InChIKey WCUOOFAOAONCLX-JGCABRRYSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9x6qsvt5XMQ
Name (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydronaphtho[2,1-e]isobenzofuran-1-one
CAS Registry Number 129704-83-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h13-16H,5-12H2,1-4H3/t13-,14-,15+,16+,19+,20+/m1/s1
InChIKey WCUOOFAOAONCLX-JGCABRRYSA-N
Molecular Weight 304.474 g/mol
SMILES [C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(CC[C@@]2([C@]1(COC2=O)[H])[H])[H])C
SPLASH splash10-0006-9620000000-b827adde3b6b3ee6d382
Source of Spectrum X2-53-726-2
Synonyms (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydronaphtho[2,1-e][2]benzofuran-1-one (3aR,3bR,5aS,9aS,9bR,11aR)-3b,6,6,9a-tetramethyl-3,3a,4,5,5a,7,8,9,9b,10,11,11a-dodecahydronaphth[2,1-e]isobenzofuran-1-one
Wiley ID 1603613