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Mannoyl-oxide-19-oic acid
SpectraBase Compound ID 3DdoZeis75n
InChI InChI=1S/C20H32O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h6,14-15H,1,7-13H2,2-5H3,(H,21,22)/t14-,15-,17+,18+,19?,20-/m1/s1
InChIKey POQLUTMXUBSNEN-JDRWGOTFSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3D3vmDSlUw6
Name Mannoyl-oxide-19-oic acid
Alternate Name(s) (3R,4aR,6aR,10aS,10bR)-3,4a,7,10a-tetramethyl-3-vinyldodecahydro-1H-benzo[f]chromene-7-carboxylic acid 8,13-Epoxy-labd-14-en-19-oic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h6,14-15H,1,7-13H2,2-5H3,(H,21,22)/t14-,15-,17+,18+,19?,20-/m1/s1
InChIKey POQLUTMXUBSNEN-JDRWGOTFSA-N
Molecular Weight 320.473 g/mol
SMILES OC(C1([C@]2([C@@]([C@@]3([C@](O[C@](CC3)(C=C)C)(CC2)C)[H])(CCC1)C)[H])C)=O
SPLASH splash10-0ab9-0498000000-124cf51cc1a4e864770e
Source of Spectrum X4-18-448-0
Wiley ID 1585540