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4.beta.-hydroxyclerodan-15-oic acid
SpectraBase Compound ID KtApjpnMsZz
InChI InChI=1S/C20H36O3/c1-14(13-17(21)22)8-11-18(3)15(2)9-12-19(4)16(18)7-6-10-20(19,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14?,15-,16-,18+,19-,20+/m1/s1
InChIKey DOBDLNYZSBEFBD-RTCOZFHTSA-N
Mol Weight 324.5 g/mol
Molecular Formula C20H36O3
Exact Mass 324.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFJ79KOQoKV
Name 4.beta.-hydroxyclerodan-15-oic acid
Alternate Name(s) 5-Hydroxy-decahydro-.beta.,1,2,4a-tetramethylnaphthalene-1-pentanoic Acid 5-[(1S,2R,4aR,5S,8aR)-5-hydroxy-1,2,4a,5-tetramethyldecahydro-1-naphthalenyl]-3-methylpentanoic acid
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Formula C20H36O3
InChI InChI=1S/C20H36O3/c1-14(13-17(21)22)8-11-18(3)15(2)9-12-19(4)16(18)7-6-10-20(19,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14?,15-,16-,18+,19-,20+/m1/s1
InChIKey DOBDLNYZSBEFBD-RTCOZFHTSA-N
Molecular Weight 324.505 g/mol
SMILES OC(CC(CC[C@@]1([C@@]2([C@]([C@](CCC2)(O)C)(CC[C@]1(C)[H])C)[H])C)C)=O
SPLASH splash10-0avm-5931000000-268f47a42bd61fe8b761
Source of Spectrum H-86-3192-8
Wiley ID 1525666