(2S)-3-Methyl-2-[(2R,2'R,6'S,7'R,8a'S)-4,6',7'-trihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-E]isoindole-2,1'-naphthalen]-7(3H)-yl]butanoic acid

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Systematic / IUPAC Name: (2S)-3-Methyl-2-[(2R,2'R,6'S,7'R,8a'S)-4,6',7'-trihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-E]isoindole-2,1'-naphthalen]-7(3H)-yl]butanoic acid

ID: Reference7595

Other Names: (2S)-2-[(2R,2'R,6'S,7'R,8'aS)-4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,5',6,6',7,7',8,8',8'a-Dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl]-3-methylbutanoic acid

Formula: C28H39NO7

Spectral Data

(2S)-3-Methyl-2-[(2R,2'R,6'S,7'R,8a'S)-4,6',7'-trihydroxy-2',5',5',8a'-tetramethyl-6-oxo-3',4',4a',5',6,6',7',8,8',8a'-decahydro-2'H-spiro[furo[2,3-E]isoindole-2,1'-naphthalen]-7(3H)-yl]butanoic acid 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 3/20/2018 1:48:24 PM
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Identificators

InChI InChI=1S/C28H39NO7/c1-13(2)21(25(34)35)29-12-17-15(24(29)33)9-18(30)16-10-28(36-22(16)17)14(3)7-8-20-26(4,5)23(32)19(31)11-27(20,28)6/h9,13-14,19-21,23,30-32H,7-8,10-12H2,1-6H3,(H,34,35)/t14-,19-,20?,21+,23-,27+,28-/m1/s1
InChI Key JJWKFIISZGZPHY-PTNCSMPOSA-N
Canonical SMILES CC1CCC2C(C(C(CC2(C13CC4=C(C=C5C(=C4O3)CN(C5=O)C(C(C)C)C(=O)O)O)C)O)O)(C)C
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Other Names (2S)-2-[(2R,2'R,6'S,7'R,8'aS)-4,6',7'-trihydroxy-2',5',5',8'a-tetramethyl-6-oxo-3,3',4',4'a,5',6,6',7,7',8,8',8'a-Dodecahydro-2'H-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-7-yl]-3-methylbutanoic acid

In Other Databases

ChemSpider 22912682
PubChem 45359340