Andrographiside

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Systematic / IUPAC Name: [(1R,2R,4aS,5R,8aS)-2-Hydroxy-5-{(2E)-2-[(4S)-4-hydroxy-2-oxodihydro-3(2H)-furanylidene]ethyl}-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl]methyl β-D-glucopyranoside

ID: Reference8210

Other Names: 2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(β-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-;
Andrographoside

Formula: C26H40O10

Spectral Data

Andrographiside 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 4
No. of Spectra 7377
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/24/2018 7:16:29 AM
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Identificators

InChI InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(28)11-34-23(14)33)9-8-19(29)26(18,3)12-35-24-22(32)21(31)20(30)17(10-27)36-24/h5,15-22,24,27-32H,1,4,6-12H2,2-3H3/b14-5+/t15-,16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1
InChI Key VUEPOIYXKZTLMD-ANZZXSATSA-N
Canonical SMILES CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)COC4C(C(C(C(O4)CO)O)O)O)O
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Other Names 2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-5-[(β-D-glucopyranosyloxy)methyl]decahydro-6-hydroxy-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-;
Andrographoside

In Other Databases

ChEMBL CHEMBL519275
ChemSpider 22913523
PubChem 44593583