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7(7r,s)-8,8-ethylendioxy-7-hydroxy-8,9-seco-labdan-15-oic acid
SpectraBase Compound ID DQfNhbKbozk
InChI InChI=1S/C22H40O5/c1-16(14-19(24)25)8-6-10-21(4)11-7-9-20(2,3)17(21)15-18(23)22(5)26-12-13-27-22/h16-18,23H,6-15H2,1-5H3,(H,24,25)
InChIKey HXYAFQIHKITBJV-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C22H40O5
Exact Mass 384.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiuVLouwP0B
Name 7(7r,s)-8,8-ethylendioxy-7-hydroxy-8,9-seco-labdan-15-oic acid
CAS Registry Number 108888-88-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40O5
InChI InChI=1S/C22H40O5/c1-16(14-19(24)25)8-6-10-21(4)11-7-9-20(2,3)17(21)15-18(23)22(5)26-12-13-27-22/h16-18,23H,6-15H2,1-5H3,(H,24,25)
InChIKey HXYAFQIHKITBJV-UHFFFAOYSA-N
Molecular Weight 384.557 g/mol
SMILES OC(CC(CCCC1(C(CC(C2(OCCO2)C)O)C(CCC1)(C)C)C)C)=O
SPLASH splash10-000i-9500000000-a8fa927c9f7d0ae54718
Source of Spectrum F-42-4574-23
Synonyms 6-{2-[2-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3,3-trimethylcyclohexyl}-3-methylhexanoic acid
Wiley ID 1361709