For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Melcanthin D
SpectraBase Compound ID 8szC2LtWKzD
InChI InChI=1S/C22H26O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8-9,16-19,23H,1,3,6-7,10H2,2,4-5H3/b14-9+,15-8+/t16-,17+,18-,19+/m1/s1
InChIKey HRJBNNMVNJWIPJ-PZIPYVHHSA-N
Mol Weight 434.44 g/mol
Molecular Formula C22H26O9
Exact Mass 434.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HrhyGHTLaFf
Name Melcanthin D
CAS Registry Number 79405-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O9
InChI InChI=1S/C22H26O9/c1-11(2)20(25)31-19-17-12(3)21(26)30-16(17)9-14(10-23)7-6-8-15(22(27)28-5)18(19)29-13(4)24/h8-9,16-19,23H,1,3,6-7,10H2,2,4-5H3/b14-9+,15-8+/t16-,17+,18-,19+/m1/s1
InChIKey HRJBNNMVNJWIPJ-PZIPYVHHSA-N
Molecular Weight 434.441 g/mol
SMILES OC\C1=C\[C@@]2([C@@]([C@@]([C@@](\C(C(=O)OC)=C/CC1)(OC(=O)C)[H])(OC(C(=C)C)=O)[H])(C(C(=O)O2)=C)[H])[H]
SPLASH splash10-014i-9220000000-d08abfbc33f26ae731f6
Source of Spectrum W5-1989-12432-1
Synonyms Methyl (3aS,4S,5R,11aR)-5-(acetyloxy)-10-(hydroxymethyl)-4-(methacryloyloxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate
Wiley ID 1382898