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BLAPHAEIN;12-METHOXYABIETA-5,8,11,13-TETRAEN-20-OIC-ACID
SpectraBase Compound ID AXS5EithXse
InChI InChI=1S/C21H28O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,19(22)23)16(14)12-17(15)24-5/h8,11-13H,6-7,9-10H2,1-5H3,(H,22,23)/t21-/m0/s1
InChIKey GHWYBNMQXBDDDB-NRFANRHFSA-N
Mol Weight 328.45 g/mol
Molecular Formula C21H28O3
Exact Mass 328.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 482Uz37XgNX
Name (4aR)-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9-tetrahydrophenanthrene-4a-carboxylic acid
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Formula C21H28O3
InChI InChI=1S/C21H28O3/c1-13(2)15-11-14-7-8-18-20(3,4)9-6-10-21(18,19(22)23)16(14)12-17(15)24-5/h8,11-13H,6-7,9-10H2,1-5H3,(H,22,23)/t21-/m0/s1
InChIKey GHWYBNMQXBDDDB-NRFANRHFSA-N
Molecular Weight 328.452 g/mol
SMILES OC([C@@]12c3c(cc(c(c3)OC)C(C)C)CC=C1C(C)(C)CCC2)=O
SPLASH splash10-00lr-0191000000-2a1b6976ad846d00ee66
Source of Spectrum G4-64-550-1
Synonyms (4aR)-7-isopropyl-6-methoxy-1,1-dimethyl-2,3,4,9-tetrahydrophenanthrene-4a-carboxylic acid
Wiley ID 1608916