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Methyl 3-(2-(3-acetoxyoctyl-3-d)-3.alpha.,5.alpha.-diacetoxycyclopentyl)propanoate
SpectraBase Compound ID HLDh6TUxUQ1
InChI InChI=1S/C23H38O8/c1-6-7-8-9-18(29-15(2)24)10-11-19-20(12-13-23(27)28-5)22(31-17(4)26)14-21(19)30-16(3)25/h18-22H,6-14H2,1-5H3/t18?,19?,20?,21-,22+/m1/s1/i18D
InChIKey GNUMDPBLFNWUEB-WAMYVNMNSA-N
Mol Weight 443.6 g/mol
Molecular Formula C23H372DO8
Exact Mass 443.262945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9CtJiqMoKEu
Name Methyl 3-(2-(3-acetoxyoctyl-3-d)-3.alpha.,5.alpha.-diacetoxycyclopentyl)propanoate
CAS Registry Number 55401-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H37DO8
InChI InChI=1S/C23H38O8/c1-6-7-8-9-18(29-15(2)24)10-11-19-20(12-13-23(27)28-5)22(31-17(4)26)14-21(19)30-16(3)25/h18-22H,6-14H2,1-5H3/t18?,19?,20?,21-,22+/m1/s1/i18D
InChIKey GNUMDPBLFNWUEB-WAMYVNMNSA-N
Molecular Weight 443.555 g/mol
SMILES [C@]1(C(C(CCC(=O)OC)[C@](C1)(OC(=O)C)[H])CCC(OC(=O)C)(CCCCC)[2D])(OC(=O)C)[H]
SPLASH splash10-03dl-0791000000-566c48c27cb720407915
Source of Spectrum W-19-545-11
Wiley ID 60145