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Mano-1,18-diacid 18-monoacetate

View entire compound with spectra: 1 MS (GC)

Mano-1,18-diacid 18-monoacetate
SpectraBase Compound ID DCA1sD6ZRZJ
InChI InChI=1S/C21H32O5/c1-6-19(3)11-7-15-20(4,26-19)12-8-14-18(2,13-25-17(23)24)10-9-16(22)21(14,15)5/h6,14-15H,1,7-13H2,2-5H3,(H,23,24)/t14?,15?,18-,19-,20+,21-/m0/s1
InChIKey LTEPMSBAUGQFBC-IGQSKYOTSA-N
Mol Weight 364.5 g/mol
Molecular Formula C21H32O5
Exact Mass 364.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBlHdp6rpjo
Name Mano-1,18-diacid 18-monoacetate
Alternate Name(s) Acetic acid (3R,4aR,7R,10S,10aS)-10-hydroxy-3,4a,7,10a-tetramethyl-3-vinyl-dodecahydro-benzo[f]chromen-7-ylmethyl ester [(3R,4aR,7R,10aS)-3,4a,7,10a-tetramethyl-10-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-7-yl]methyl hydrogen carbonate
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Formula C21H32O5
InChI InChI=1S/C21H32O5/c1-6-19(3)11-7-15-20(4,26-19)12-8-14-18(2,13-25-17(23)24)10-9-16(22)21(14,15)5/h6,14-15H,1,7-13H2,2-5H3,(H,23,24)/t14?,15?,18-,19-,20+,21-/m0/s1
InChIKey LTEPMSBAUGQFBC-IGQSKYOTSA-N
Molecular Weight 364.482 g/mol
SMILES OC(OC[C@]1(C2[C@@](C3[C@@](O[C@](CC3)(C=C)C)(C)CC2)(C(CC1)=O)C)C)=O
SPLASH splash10-0udj-0089000000-60e4db24c5d7143ccd74
Source of Spectrum F-54-6166-11
Wiley ID 807291