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OPHIOPOGONOSIDE-A;1-BETA,4-BETA,6-BETA-TRIHYDROXY-CIS-EUDESMANE-6-O-D-GLUCOPYRANOSIDE
SpectraBase Compound ID BEW8JJGvTIb
InChI InChI=1S/C21H38O8/c1-10(2)11-5-7-20(3)13(23)6-8-21(4,27)18(20)17(11)29-19-16(26)15(25)14(24)12(9-22)28-19/h10-19,22-27H,5-9H2,1-4H3/t11-,12+,13+,14+,15-,16+,17+,18-,19-,20-,21-/m0/s1
InChIKey DQRUOTCFENUXKV-YQVANZONSA-N
Mol Weight 418.5 g/mol
Molecular Formula C21H38O8
Exact Mass 418.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Efh6dq0MMpA
Name 1.beta.,4.beta.,6.beta.-trihydroxy-cis-eudesmane-6-O-.beta.-D-glucopyranoside
Alternate Name(s) Ophiopogonoside A
Appearance White amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O8
InChI InChI=1S/C21H38O8/c1-10(2)11-5-7-20(3)13(23)6-8-21(4,27)18(20)17(11)29-19-16(26)15(25)14(24)12(9-22)28-19/h10-19,22-27H,5-9H2,1-4H3/t11-,12+,13+,14+,15-,16+,17+,18-,19-,20-,21-/m0/s1
InChIKey DQRUOTCFENUXKV-YQVANZONSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np049864e
Molecular Weight 418.527 g/mol
Optical Rotation [a]D25 = -3.4 (c = 0.30, MeOH)
SMILES O[C@]1(CC[C@]([C@@]2(CC[C@]([C@@](O[C@@]3(O[C@@]([C@]([C@@]([C@]3(O)[H])(O)[H])(O)[H])(CO)[H])[H])([C@]12[H])[H])(C(C)C)[H])C)(O)[H])C
SPLASH splash10-0udi-0950000000-423b0a1dd9d551073196
Source of Spectrum G4-67-1763-2
Wiley ID 1881556