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ent-2,3-seco-13-ep-manoyl oxide-2,3-dioic acid
SpectraBase Compound ID 40rXdtwRcn4
InChI InChI=1S/C20H32O5/c1-7-18(4)10-8-14-19(5,12-15(21)22)13(17(2,3)16(23)24)9-11-20(14,6)25-18/h7,13-14H,1,8-12H2,2-6H3,(H,21,22)(H,23,24)/t13?,14?,18-,19+,20-/m0/s1
InChIKey SNSXKAUSYCGEJL-GVFSZWDCSA-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 FrUEiO5JLHC
Name ent-2,3-seco-13-ep-manoyl oxide-2,3-dioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-7-18(4)10-8-14-19(5,12-15(21)22)13(17(2,3)16(23)24)9-11-20(14,6)25-18/h7,13-14H,1,8-12H2,2-6H3,(H,21,22)(H,23,24)/t13?,14?,18-,19+,20-/m0/s1
InChIKey SNSXKAUSYCGEJL-GVFSZWDCSA-N
Molecular Weight 352.471 g/mol
SMILES OC(C(C1[C@@](CC(=O)O)(C2[C@](CC1)(O[C@](CC2)(C=C)C)C)C)(C)C)=O
SPLASH splash10-014i-0029000000-1b8a7cc77b9ce46d04dc
Source of Spectrum F-55-1791-13
Synonyms 2-[(2R,5R,8aS)-5-(carboxymethyl)-2,5,8a-trimethyl-2-vinyloctahydro-2H-chromen-6-yl]-2-methylpropanoic acid
Wiley ID 836690