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SCABEROSIDE-HH;3-O-BETA-[GALACTOPYRANOSYL-(1->2)-[XYLOPYRANOSYL-(1->3)]-(6-O-METHYL)-GLUCURONOPYRANOSYL]-ECHINOCYSTIC-ACID-28-O-XYLOPYRANOSYL-(1->
SpectraBase Compound ID 3DP4sTlBVVB
InChI InChI=1S/C75H120O39/c1-26-39(82)43(86)48(91)64(103-26)109-55-33(80)25-102-67(58(55)112-65-50(93)45(88)53(27(2)104-65)107-63-52(95)54(32(79)24-101-63)108-61-46(89)40(83)30(77)22-99-61)114-69(97)75-18-17-70(3,4)19-29(75)28-11-12-36-72(7)15-14-38(71(5,6)35(72)13-16-73(36,8)74(28,9)20-37(75)81)106-68-59(113-66-49(92)44(87)42(85)34(21-76)105-66)56(51(94)57(111-68)60(96)98-10)110-62-47(90)41(84)31(78)23-100-62/h11,26-27,29-59,61-68,76-95H,12-25H2,1-10H3/t26-,27+,29?,30+,31-,32+,33-,34+,35?,36?,37-,38+,39-,40-,41+,42-,43+,44-,45+,46+,47-,48+,49+,50-,51+,52+,53+,54-,55+,56+,57+,58-,59-,61-,62+,63-,64-,65+,66-,67+,68-,72+,73-,74-,75-/m1/s1
InChIKey SXIZNRXQJSDMQG-QVKMHSAFSA-N
Mol Weight 1645.7 g/mol
Molecular Formula C75H120O39
Exact Mass 1644.740674 g/mol
Enantiomer InChIKey SXIZNRXQJSDMQG-DETJFIDYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
13',16':18',21'-dietheno-1,1''-diethyl-3',14',20',31'-tetramethyldispiro[piperidine-4,17'-[5,12,22,29]tetraoxa[37,40,41]triazatetracyclo[31.13.1.0.(4,45).0(30,35)]heptatetraconta-1',3',13',15',18',20',30',34',35',45'-decaene-47',4''-piperidine]-38',42'-dione
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19-hexaoxo-2,9-diphenyl-, hexyl ester, stereoisomer
1,1,2',2'-Tetraethyl-1',2',3',8',9',10',11',23',34',35',36',35'a-dodecahydro-14'-20'-38'-41'-tetramethylspiro[piperidine-4,17'-[4,6:13,16:18,21]trietheno[28,32:31,35]dimethano[17H][1,6,16,21]tetraoxacyclotriacontino[25,24-c]pyridinium]Dichloride
2-Propenoic acid, 3-phenyl-, 1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3a,6b-dihydroxy-1,1,5,7-tetramethyl-4-oxo-2a-[[(1-oxo-3-phenyl-2-propenyl)oxy]methyl]-8aH-cyclopropa[5',6']benz[1',2':7,8]az uleno[5,6-b]oxirene-8,8a-diyl ester, [1aR-(1a.alpha.,1b.beta.,1c.beta.,2a.beta.,3a.beta.,6a.alpha.,6b.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
2-(2'-acetoxymethyl-3'-(2",3",4"-tri(trimethylsiloxy).alpha.-L-rhamnosyloxy)-4'-(2"-phenyl-2"-trimethylsiloxyethylcarbonyloxy)-5'-(2"-methylpropylcarbonylamino)-1'-oxacycloheh-1'-yloxy)-4,4-di(trimethylsiloxycarbonyl)-8,13-ethano-15-hydroxy-16-methylene-perhydrophenanthrane
41,42,43,44,45,46,47,48-Octamethoxy-4,9,14,19,24,29,34,39-octamethylnonacyclo[35.3.1.1(2,6).1(7,11).1(12,16).1(17,21).1(22,26).1(27,31).1(32,36)]octatetraconta-1(41),2,4,6(48),7,9,11(47),12,14,16(46),17,19,21(45),22,24,26(44),27,29,31(43),32,34,36(42),37,39-tetracosaene
1,6-Dioxaspiro[4.5]decane-7-hexanoic acid, 2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-(hydroxym ethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-.delta.-methoxy-.epsilon.,2,8-trimethyl-, methyl ester, diacetate
tetramethyl (2.alpha.,3.alpha.,6.beta.,8.beta.,10.beta.,12.beta.,15.alpha.,16.alpha.)-19-endo,23-endo,27-exo-9,21-dioxo-7,11,19,23,27,28-hexaoxaundecacyclo[15.7.2.1(2,16),1(4,14).0(1,17).0(3,15).0(5,13).0(6,8).0(10,12).0(18,20).0(22,24)]octacosa-5(13),25-diene-3,15,25,26-tetracarboxylate
1,7,2,6-Ethanediylidene-6a,10c-(methaniminomethano)-3H,6H,7H,8H-2b,4, 5a,7a,9,10a-hexaazadicyclopent[d,i]acenaphthylene-12-acetic acid, 1-bromooctahydro-.alpha.-(2-methylpropyl)-3,5,8,10,11,13-hexaoxo-4,9- diphenyl-, hexyl ester, (S)-
Dispiro[piperidine-4,2'-[7,14,24,31]tetraoxapentacyclo[30.2.2.23,6.215,18.220,23]dotetraconta[3,5,15,17,20,22,32,34,35,37,39,41]dodecaen e-19',4''-piperidine], 1,1''-diacetyl-5',33'-dibromo-16',22',36',37',40',41'-hexamethyl-
Title Journal or Book Year
Advances in structural elucidation of glucuronide oleanane-type triterpene carboxylic acid 3,28-O-bisdesmosides (1962–1997) Phytochemistry 1999
Unknown Identification

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