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1,1-Dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
SpectraBase Compound ID 43ZPCybjCs3
InChI InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,18(22)23)15(13)11-16(14)21/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)
InChIKey ATHWSPHADLLZSS-UHFFFAOYSA-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 38uSoFzLk3Y
Name 1,1-Dimethyl-6-oxidanyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,4)8-5-9-20(17,18(22)23)15(13)11-16(14)21/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)
InChIKey ATHWSPHADLLZSS-UHFFFAOYSA-N
Molecular Weight 316.441 g/mol
SMILES Oc1c(cc2c(C3(C(=O)O)C(CC2)C(C)(C)CCC3)c1)C(C)C
SPLASH splash10-01b9-6595000000-395082c98ed63547b055
Source of Spectrum H-78-829-1
Synonyms 12-hydroxyabieta-8,11,13-trien-20-oic acid 6-Hydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid 6-Hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Wiley ID 1317106