NP-004089

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Systematic / IUPAC Name: [(2R,3S,4S,5R,6S)-6-{[(2S,3R,4S,5R,6R)-6-{[(1S,3R,4S,4aR,8aR)-4-[(3S)-3-{[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-methylpent-4-en-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl acetate

ID: Reference8031

Other Names: (3S)-5-[(1S,2R,4S,4aR,8aR)-4-{[4-O-(6-O-Acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy}-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methyl-1-penten-3-yl 6-deox y-4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside ;
β-D-Galactopyranoside, (1S)-1-[2-[(1S,2R,4S,4aR,8aR)-4-[[4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]e thyl]-1-methyl-2-propen-1-yl 6-deoxy-4-O-(6-deoxy-α-L-mannopyranosyl)-

Formula: C46H76O20

Spectral Data

NP-004089 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 2211
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 6/8/2018 7:17:23 AM
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Identificators

InChI InChI=1S/C46H76O20/c1-11-44(8,66-43-37(57)33(53)39(23(6)61-43)64-41-34(54)30(50)28(48)21(4)59-41)15-16-45(9)20(3)17-27(46(10)19(2)13-12-14-26(45)46)63-40-36(56)32(52)38(22(5)60-40)65-42-35(55)31(51)29(49)25(62-42)18-58-24(7)47/h11,13,20-23,25-43,48-57H,1,12,14-18H2,2-10H3/t20-,21+,22+,23-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44-,45+,46+/m1/s1
InChI Key YGAXNRUXTMXSJA-LDGQGHTNSA-N
Canonical SMILES CC1CC(C2(C(C1(C)CCC(C)(C=C)OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)O)O)O)O)O)CCC=C2C)C)OC5C(C(C(C(O5)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)O)O
CAS
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Other Names (3S)-5-[(1S,2R,4S,4aR,8aR)-4-{[4-O-(6-O-Acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy}-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methyl-1-penten-3-yl 6-deox y-4-O-(6-deoxy-α-L-mannopyranosyl)-β-D-galactopyranoside ;
β-D-Galactopyranoside, (1S)-1-[2-[(1S,2R,4S,4aR,8aR)-4-[[4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]e thyl]-1-methyl-2-propen-1-yl 6-deoxy-4-O-(6-deoxy-α-L-mannopyranosyl)-

In Other Databases

ChemSpider 8899897
PubChem 10724564