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.alpha.-9-O-Chloroacetylmidecanolide A1 Propionyloxy Acetal
SpectraBase Compound ID KiVd6ba3tyR
InChI InChI=1S/C28H41ClO10/c1-6-22(30)37-21-15-24(32)35-18(4)11-9-8-10-12-20(36-25(33)16-29)17(3)13-19-14-26(38-23(31)7-2)39-27(19)28(21)34-5/h8-10,12,17-21,26-28H,6-7,11,13-16H2,1-5H3/b9-8+,12-10+/t17-,18-,19-,20+,21-,26+,27+,28-/m1/s1
InChIKey MMGCLSFBCVKORS-PAPGRRQZSA-N
Mol Weight 573.1 g/mol
Molecular Formula C28H41ClO10
Exact Mass 572.238825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gzh2t6Ban63
Name .alpha.-9-O-Chloroacetylmidecanolide A1 Propionyloxy Acetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41ClO10
InChI InChI=1S/C28H41ClO10/c1-6-22(30)37-21-15-24(32)35-18(4)11-9-8-10-12-20(36-25(33)16-29)17(3)13-19-14-26(38-23(31)7-2)39-27(19)28(21)34-5/h8-10,12,17-21,26-28H,6-7,11,13-16H2,1-5H3/b9-8+,12-10+/t17-,18-,19-,20+,21-,26+,27+,28-/m1/s1
InChIKey MMGCLSFBCVKORS-PAPGRRQZSA-N
Molecular Weight 573.079 g/mol
SMILES [C@@]12([C@@]([C@@](CC(O[C@@](C\C=C\C=C\[C@@]([C@@](C[C@@]2(C[C@](O1)(OC(=O)CC)[H])[H])(C)[H])(OC(=O)CCl)[H])(C)[H])=O)(OC(=O)CC)[H])(OC)[H])[H]
SPLASH splash10-0a4i-9711000000-e793c57b0d6cc55bd985
Source of Spectrum E1-39-2826-22
Wiley ID 1519196