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.beta.-Peltatin-B

View entire compound with spectra: 1 MS (GC)

.beta.-Peltatin-B
SpectraBase Compound ID 4321NONHIJK
InChI InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
InChIKey HLBPOYVRLSXWJJ-PDSMFRHLSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zZbNBijMHc
Name .beta.-Peltatin-B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1
InChIKey HLBPOYVRLSXWJJ-PDSMFRHLSA-N
Molecular Weight 414.410 g/mol
SMILES Oc1c2c([C@@](c3cc(OC)c(c(c3)OC)OC)([C@@]3([C@@](COC3=O)([H])C2)[H])[H])cc2c1OCO2
SPLASH splash10-03di-0025900000-57e1209418af3fc3e967
Source of Spectrum E1-39-93-18
Synonyms (5aR,8aR,9R)-4-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one (5aR,8aR,9R)-4-oxidanyl-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Wiley ID 1598628