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#1;SCAMMONIN-I;(11S)-HYDROXYHEXADECANOIC-ACID-11-[[O-6-DEOXY-4-O-(2E-METHYL-1-OXO-2-BUTENYL)-BETA-D-GLUCOPYRANOSYL-(1->4)-O-6-DEOXY-2-O-(2-METHYL-1-OXOBUTYL)-A

Compound with spectra: 1 NMR

#1;SCAMMONIN-I;(11S)-HYDROXYHEXADECANOIC-ACID-11-[[O-6-DEOXY-4-O-(2E-METHYL-1-OXO-2-BUTENYL)-BETA-D-GLUCOPYRANOSYL-(1->4)-O-6-DEOXY-2-O-(2-METHYL-1-OXOBUTYL)-A
SpectraBase Compound ID 5fW7KIc20LY
InChI InChI=1S/C50H84O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-43-40(69-47-38(58)37(57)39(28(7)62-47)67-45(59)25(4)10-2)29(8)63-50(44(43)68-46(60)26(5)11-3)71-42-36(56)34(54)31(24-51)65-49(42)70-41-35(55)33(53)27(6)61-48(41)64-30/h10,26-31,33-44,47-51,53-58H,9,11-24H2,1-8H3/b25-10-/t26?,27-,28-,29+,30+,31-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42-,43-,44-,47-,48-,49+,50+/m1/s1
InChIKey DGRGOOVTCYVEDQ-VWAZGFTDSA-N
Mol Weight 1021.2 g/mol
Molecular Formula C50H84O21
Exact Mass 1020.55051 g/mol
Enantiomer InChIKey DGRGOOVTCYVEDQ-GQEQHYOJSA-N

View Spectrum of #1;SCAMMONIN-I;(11S)-HYDROXYHEXADECANOIC-ACID-11-[[O-6-DEOXY-4-O-(2E-METHYL-1-OXO-2-BUTENYL)-BETA-D-GLUCOPYRANOSYL-(1->4)-O-6-DEOXY-2-O-(2-METHYL-1-OXOBUTYL)-A

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
SCAMMONIN_VII;(11-S)-JALAPINOLIC_ACID_11-O-4-O-TIGLYL-BETA-D-QUINOVOPYRANOSYL-(1->4)-O-2-O-(2-S)-2-METHYLBUTYRYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O
SCAMMONIN_VIII;(11-S)-JALAPINOLIC-ACID_11-O-4-O-TIGLYL-BETA-D-GLUCOPYRANOSYL-(1->4)-O-2-O-(2-S)-2-METHYLBUTYRYL-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-
STANSIN-5
ORIZABIN-V
TYRIANTHIN_5
TYRIANTHIN_4
ORIZABIN-VII
UWZMNQYQBQDVOC-VZDZEKDRSA-N
TYRIANTHIN_2
KNNBBGAQZRVOCU-CDXYHWLASA-N
Title Journal or Book Year
Scammonins I and II, the resin glycosides of radix scammoniae from Convolvulus scammonia Phytochemistry 1990
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