(5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate

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Systematic / IUPAC Name: (5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate

ID: Reference7838

Other Names: Butanoic acid, 2-methyl-, (5S,10Z,11aR)-5-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester

Formula: C22H30O8

Spectral Data

(5S,10Z,11aR)-5-Acetoxy-6,10-bis(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 2-methylbutanoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 1917
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2018 11:46:41 AM
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Identificators

InChI InChI=1S/C22H30O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(10-23)7-6-8-16(11-24)19(20)28-14(4)25/h8-9,12,17-20,23-24H,3,5-7,10-11H2,1-2,4H3/b15-9-,16-8-/t12?,17-,18?,19+,20?/m1/s1
InChI Key LQQVURUBFJKELJ-BNFMWDMMSA-N
Canonical SMILES CCC(C)C(=O)OC1[C@H](/C(=C/CC/C(=C/[C@@H]2C1C(=C)C(=O)O2)/CO)/CO)OC(=O)C
CAS
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Other Names Butanoic acid, 2-methyl-, (5S,10Z,11aR)-5-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester

In Other Databases

ChemSpider 29814146