(2E)-2-({[(3aR,4R,6E,9S,10Z,11aS)-9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl]oxy}carbonyl)-2-buten-1-yl (2E)-2-(hydroxymethyl)-2-butenoate

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Systematic / IUPAC Name: (2E)-2-({[(3aR,4R,6E,9S,10Z,11aS)-9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl]oxy}carbonyl)-2-buten-1-yl (2E)-2-(hydroxymethyl)-2-butenoate

ID: Reference7798

Other Names: 2-Butenoic acid, 2-(hydroxymethyl)-, (2E)-2-({[(3aR,4R,6E,9S,10Z,11aS)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl]oxy}carbonyl)-2-buten-1-yl ester, (2E)-

Formula: C27H34O9

Spectral Data

(2E)-2-({[(3aR,4R,6E,9S,10Z,11aS)-9-Acetoxy-6,10-dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl]oxy}carbonyl)-2-buten-1-yl (2E)-2-(hydroxymethyl)-2-butenoate 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 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/18/2018 8:09:46 AM
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Identificators

InChI InChI=1S/C27H34O9/c1-7-19(13-28)26(31)33-14-20(8-2)27(32)36-22-11-15(3)9-10-21(34-18(6)29)16(4)12-23-24(22)17(5)25(30)35-23/h7-9,12,21-24,28H,5,10-11,13-14H2,1-4,6H3/b15-9+,16-12-,19-7+,20-8+/t21-,22+,23-,24+/m0/s1
InChI Key GBKBPIXSSQJOPJ-XEMLLQTBSA-N
Canonical SMILES CC=C(CO)C(=O)OCC(=CC)C(=O)OC1CC(=CCC(C(=CC2C1C(=C)C(=O)O2)C)OC(=O)C)C
CAS
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Other Names 2-Butenoic acid, 2-(hydroxymethyl)-, (2E)-2-({[(3aR,4R,6E,9S,10Z,11aS)-9-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl]oxy}carbonyl)-2-buten-1-yl ester, (2E)-

In Other Databases

PubChem 23815259
ChemSpider 22913772