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(1R,4aR,4bR,7S,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,10a-decahydrophenanthrene-1-carboxylate
SpectraBase Compound ID 3chLOXIBLCX
InChI InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h8-9,14,16-17H,6-7,10-13H2,1-5H3/t16-,17+,19-,20+,21+/m0/s1
InChIKey VZRYJQHBGQVGRN-GBMAXXPESA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3t9bXGuVblT
Name (1R,4aR,4bR,7S,10aR)-Methyl 7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,10a-decahydrophenanthrene-1-carboxylate
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Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h8-9,14,16-17H,6-7,10-13H2,1-5H3/t16-,17+,19-,20+,21+/m0/s1
InChIKey VZRYJQHBGQVGRN-GBMAXXPESA-N
Literature Reference DOI 10.1002/open.201500187
Molecular Weight 316.485 g/mol
SMILES [C@]1(CCC[C@@]2([C@]3(CC[C@@](C=C3C=C[C@@]12[H])(CC)C)[H])C)(C)C(=O)OC
SPLASH splash10-000j-1292000000-647bcbc0d2a6ce1880ea
Source of Spectrum CHO-5-65/SM5-5
Synonyms Methyl (1R,4aR,4bR,7S,10aR)-7-ethyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,10a-decahydrophenanthrene-1-carboxylate
Wiley ID 1808484