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(2S,3S,4S,6R,7R,9R,10R,11R,14S)-3-Acetyloxy-9-hydroxy-14-(3-hydroxy-3-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide

View entire compound with spectra: 1 MS (GC)

(2S,3S,4S,6R,7R,9R,10R,11R,14S)-3-Acetyloxy-9-hydroxy-14-(3-hydroxy-3-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
SpectraBase Compound ID LJvECEP5SE5
InChI InChI=1S/C22H28O9/c1-9(23)29-15-11-6-22-10-5-13(24)17(22)21(11,4)19(26)31-16(15)12(22)8-28-18(10)30-14(25)7-20(2,3)27/h8,10-11,13,15-18,24,27H,5-7H2,1-4H3/t10-,11-,13+,15-,16-,17-,18-,21-,22+/m0/s1
InChIKey HIDSKEIMSAUSKT-YOXJRQASSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H28O9
Exact Mass 436.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7C0qW1X8y2V
Name (2S,3S,4S,6R,7R,9R,10R,11R,14S)-3-Acetyloxy-9-hydroxy-14-(3-hydroxy-3-methylbutanoyloxy)-14,15-epoxytrix-5(15)-en-4,12-olide
Appearance gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O9
InChI InChI=1S/C22H28O9/c1-9(23)29-15-11-6-22-10-5-13(24)17(22)21(11,4)19(26)31-16(15)12(22)8-28-18(10)30-14(25)7-20(2,3)27/h8,10-11,13,15-18,24,27H,5-7H2,1-4H3/t10-,11-,13+,15-,16-,17-,18-,21-,22+/m0/s1
InChIKey HIDSKEIMSAUSKT-YOXJRQASSA-N
Instrument Name JEOL JMS SX 102/Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np010191z
Molecular Weight 436.457 g/mol
Optical Rotation [a] = -29.7 (589 nm), -31.1 (578 nm), -35.1 (546 nm), -51.3 (436 nm), -72.9 (365 nm) (c = 0.74, CHCl3)
Reported Formula C22H28O9
SMILES OC(CC(O[C@]1([C@]2([C@@]34C([C@@]5(OC([C@]([C@@]4([C@@](C2)(O)[H])[H])([C@@](C3)([C@@]5(OC(C)=O)[H])[H])C)=O)[H])=CO1)[H])[H])=O)(C)C
SPLASH splash10-00kf-0095000000-f9add6cefcfd369c5ebb
Source of Spectrum G4-64-1330-4
Wiley ID 1882858