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

*Links on SpectraBase are not permalinks.
2-Butenoic acid, 4-(acetyloxy)-2-[(acetyloxy)methyl]-, 2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan -4-yl ester, [3R-[3.alpha.,3a.beta.,4.alpha.(Z),9a.beta.,9b.alpha.]]-
SpectraBase Compound ID BtwUftPRoRi
InChI InChI=1S/C24H30O8/c1-12-6-7-18-13(2)10-19(21-14(3)23(27)32-22(21)20(12)18)31-24(28)17(11-30-16(5)26)8-9-29-15(4)25/h6,8,14,19-22H,7,9-11H2,1-5H3/b17-8-/t14-,19+,20-,21+,22+/m1/s1
InChIKey VGFDHFJFOOQRJS-UZNSYFAYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H30O8
Exact Mass 446.194068 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 B3SzeSu2s76
Name 2-Butenoic acid, 4-(acetyloxy)-2-[(acetyloxy)methyl]-, 2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2-oxoazuleno[4,5-b]furan -4-yl ester, [3R-[3.alpha.,3a.beta.,4.alpha.(Z),9a.beta.,9b.alpha.]]-
Alternate Name(s) (3R,3aS,4S,9aR,9bS)-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl (2Z)-4-(acetyloxy)-2-[(acetyloxy)methyl]-2-butenoate 19,20-Diacetylpetiolaride Azuleno[4,5-b]furan, 2-butenoic acid deriv.
CAS Registry Number 62748-24-7
Comments Removed - expert review - bad spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O8
InChI InChI=1S/C24H30O8/c1-12-6-7-18-13(2)10-19(21-14(3)23(27)32-22(21)20(12)18)31-24(28)17(11-30-16(5)26)8-9-29-15(4)25/h6,8,14,19-22H,7,9-11H2,1-5H3/b17-8-/t14-,19+,20-,21+,22+/m1/s1
InChIKey VGFDHFJFOOQRJS-UZNSYFAYSA-N
Molecular Weight 446.496 g/mol
SMILES [C@@]12(OC(=O)[C@@]([C@]2([C@@](OC(\C(COC(=O)C)=C/COC(=O)C)=O)(CC(=C2[C@]1(C(=CC2)C)[H])C)[H])[H])(C)[H])[H]
SPLASH splash10-053r-0590000000-06d966df157de595e8df
Source of Spectrum K-110-314-0
Wiley ID 1386588