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7-ALPHA,12-ALPHA,13-BETA-TRIHYDROXYABIET-8(14)-EN-18-OIC-ACID

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7-ALPHA,12-ALPHA,13-BETA-TRIHYDROXYABIET-8(14)-EN-18-OIC-ACID
SpectraBase Compound ID 3WvffqHJJJZ
InChI InChI=1S/C20H32O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13-16,21-22,25H,5-9H2,1-4H3,(H,23,24)/t13-,14+,15+,16-,18+,19+,20+/m0/s1
InChIKey WGJYYARKNLFWSA-AWKFRVKISA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48BTh1qGs37
Name (1R,4aR,4bR,6S,7S,9R,10aR)-1,4a-dimethyl-6,7,9-tris(oxidanyl)-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
Alternate Name(s) (1R,4aR,4bR,6S,7S,9R,10aR)-6,7,9-trihydroxy-1,4a-dimethyl-7-propan-2-yl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid (1R,4aR,4bR,6S,7S,9R,10aR)-6,7,9-trihydroxy-7-isopropyl-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
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Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-11(2)20(25)10-12-13(8-16(20)22)18(3)6-5-7-19(4,17(23)24)15(18)9-14(12)21/h10-11,13-16,21-22,25H,5-9H2,1-4H3,(H,23,24)/t13-,14+,15+,16-,18+,19+,20+/m0/s1
InChIKey WGJYYARKNLFWSA-AWKFRVKISA-N
Molecular Weight 352.471 g/mol
SMILES O[C@@]1(C[C@]2([C@@](CCC[C@@]2([C@@]2(C1=C[C@]([C@](C2)(O)[H])(C(C)C)O)[H])C)(C(=O)O)C)[H])[H]
SPLASH splash10-0006-9647000000-af76d4669bce9ecf45b5
Source of Spectrum I-78-39-9
Wiley ID 812669