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HARDWICKIIC-ACID
SpectraBase Compound ID LFhhPmsHNYE
InChI InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m0/s1
InChIKey HHWOKJDCJVESIF-GIPAHHNCSA-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 7k0eh8NXKw2
Name (+)-Hardwickiic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m0/s1
InChIKey HHWOKJDCJVESIF-GIPAHHNCSA-N
Molecular Weight 316.441 g/mol
SMILES OC(C=1[C@@]2([C@]([C@@](CCc3cocc3)(C)[C@](CC2)(C)[H])(CCC1)[H])C)=O
SPLASH splash10-0fi1-7792000000-bb8ce0100269548badad
Source of Spectrum E1-42-1206-1
Synonyms (4aS,5R,6S,8aS)-5-[2-(3-furanyl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aS,5R,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Wiley ID 1552638