Hoodigoside I

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Systematic / IUPAC Name: [(3S,8R,10R,12R,13S,14S,17S)-17-Acetyl-14-hydroxy-3-[(2R,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10

ID: Reference8257

Other Names: 2-Butenoic acid, 2-methyl-, (3β,9ξ,12β,14β)-3-[[O-β-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-20-oxopregn-5-en-12-yl ester, (2E)-;
(3β,9ξ,12β,14β)-3-{[β-D-Glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxy-20-oxopregn-5-en-12-yl (2E)-2-methyl-2-butenoate

Formula: C60H96O22

Spectral Data

Hoodigoside I 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 2062
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2018 1:08:23 PM
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Identificators

InChI InChI=1S/C60H96O22/c1-14-28(2)56(66)78-44-22-38-37(60(67)20-18-36(29(3)62)59(44,60)9)16-15-34-21-35(17-19-58(34,38)8)76-45-23-39(68-10)52(30(4)72-45)79-46-24-40(69-11)53(31(5)73-46)80-47-25-41(70-12)54(32(6)74-47)81-48-26-42(71-13)55(33(7)75-48)82-57-51(65)50(64)49(63)43(27-61)77-57/h14-15,30-33,35-55,57,61,63-65,67H,16-27H2,1-13H3/b28-14+/t30-,31-,32-,33-,35+,36-,37-,38?,39+,40+,41+,42-,43-,44-,45+,46+,47+,48+,49-,50+,51-,52-,53-,54-,55-,57+,58+,59+,60+/m1/s1
InChI Key CTEPYEUIZNZLPO-VGPNSHIZSA-N
Canonical SMILES CC=C(C)C(=O)OC1CC2C(CC=C3C2(CCC(C3)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)CO)O)O)O)OC)OC)OC)OC)C)C9(C1(C(CC9)C(=O)C)C)O
CAS
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Other Names 2-Butenoic acid, 2-methyl-, (3β,9ξ,12β,14β)-3-[[O-β-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy]-14-hydroxy-20-oxopregn-5-en-12-yl ester, (2E)-;
(3β,9ξ,12β,14β)-3-{[β-D-Glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxy-20-oxopregn-5-en-12-yl (2E)-2-methyl-2-butenoate

In Other Databases

ChemSpider 29814776
PubChem 75536009