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(-)-6.beta.-Hydroxy-5.beta.,8.beta.,9.beta.,10.alpha.-cleroda-3,13-dien-16,15-olid-18-oic acid
SpectraBase Compound ID Jnmz6nWpyVR
InChI InChI=1S/C20H28O5/c1-12-11-16(21)20(3)14(17(22)23)5-4-6-15(20)19(12,2)9-7-13-8-10-25-18(13)24/h5,8,12,15-16,21H,4,6-7,9-11H2,1-3H3,(H,22,23)/t12-,15-,16+,19+,20+/m0/s1
InChIKey VIZZFMPBFLWOFS-JUNANHINSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYgnncdcupu
Name (-)-6.beta.-Hydroxy-5.beta.,8.beta.,9.beta.,10.alpha.-cleroda-3,13-dien-16,15-olid-18-oic acid
Alternate Name(s) (4aS,5R,6S,8R,8aS)-8-hydroxy-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aS,5R,6S,8R,8aS)-5,6,8a-trimethyl-8-oxidanyl-5-[2-(5-oxidanylidene-2H-furan-4-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
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Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-12-11-16(21)20(3)14(17(22)23)5-4-6-15(20)19(12,2)9-7-13-8-10-25-18(13)24/h5,8,12,15-16,21H,4,6-7,9-11H2,1-3H3,(H,22,23)/t12-,15-,16+,19+,20+/m0/s1
InChIKey VIZZFMPBFLWOFS-JUNANHINSA-N
Molecular Weight 348.439 g/mol
SMILES O[C@@]1(C[C@@]([C@]([C@]2([C@]1(C(C(=O)O)=CCC2)C)[H])(CCC=1C(OCC1)=O)C)(C)[H])[H]
SPLASH splash10-0229-1933000000-b4542aad710deb69f873
Source of Spectrum E2-52-788-4
Wiley ID 1556534