ClINOPODISIDE-D;3-BETA,16-BETA,23-TRIHYDROXY-12-KETO-13-BETA,28-EPOXYOLEAN-9(11)-EN-3-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->
Compound with spectra: 1 NMR
![ClINOPODISIDE-D;3-BETA,16-BETA,23-TRIHYDROXY-12-KETO-13-BETA,28-EPOXYOLEAN-9(11)-EN-3-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->](/api/compound/CQGHP0xsEYO.png?ph=true&h=300&w=458 "ClINOPODISIDE-D;3-BETA,16-BETA,23-TRIHYDROXY-12-KETO-13-BETA,28-EPOXYOLEAN-9(11)-EN-3-YL-[BETA-D-GLUCOPYRANOSYL-(1->2)]-[BETA-D-GLUCOPYRANOSYL-(1->")
| SpectraBase Compound ID | CQGHP0xsEYO |
|---|---|
| InChI | InChI=1S/C48H76O19/c1-21-30(54)37(66-39-35(59)33(57)31(55)22(17-49)63-39)38(67-40-36(60)34(58)32(56)23(18-50)64-40)41(62-21)65-29-9-10-43(4)24(44(29,5)19-51)8-11-45(6)25(43)14-27(52)48-26-15-42(2,3)12-13-47(26,20-61-48)28(53)16-46(45,48)7/h14,21-24,26,28-41,49-51,53-60H,8-13,15-20H2,1-7H3/t21?,22?,23?,24?,26?,28-,29-,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,43-,44-,45+,46-,47+,48+/m0/s1 |
| InChIKey | GGOKCFRFORFSTA-VSFHYCGVSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C48H76O19 |
| Exact Mass | 956.49808 g/mol |
| Enantiomer InChIKey | GGOKCFRFORFSTA-ZLRUZNBASA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
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
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
Methyl 2.beta.-(2'-(m-isopropyl-phenyl)ethyl)-1.beta.,3.alpha.-dimethyl-cyclohexanecarboxylate (so name and structure in Anderson & Botto) but MS (intense fragement at m/z = 187) and RT suggest 2.alpha.-epimer instead, with Reg. No. 19556-80-0? a methyl seco-dehydro-abietate
{(4a,5,6,7,7a-.eta.)-4-(2",2"-Dimethyl-1",3"-dioxolan-4"-yl)-3a,5,8,8a-tetrahydro-2,2-dimethyl-4H-indeno[5,6-d]-1,3-dioxol-5-yl}-{(4',5',6',7',7a'-.eta.)-5'-(chloromercurio)-4'-(2"',2"'-dimethyl-1'",3'"-dioxolan-4"'-yl}-3a',5',8',8a'-tetrahydro-2',2'-dimethyl-4H-indeno5,6-d]-1',3'-dioxol-5'-yl}- iron (II)
4H-9,12:15,18-Dietheno-28,31-imino-26,23-methenopyrrolo[2,3-n][1,19,6]dioxaazacyclohentriacontine-6,21,24(5H,22H,25H)-trione, 30-ethyl-2-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-8,13,14,19-tetrahydro-3,29,34-trimethyl-, (Z,Z,Z)-
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
(1a.alpha.,3a.alpha.,4.beta.,5a.alpha.6.alpha.,8.beta.,8a.alpha.,8b.beta.,10.alpha.,10a.beta.,10b.beta.,10c.alpha.)-4-[(1,1-Dimethylethyl)dimethylsiloxy]tetradecahydro-10-[(2-methoxyethoxy)methoxy]-8-(methoxymethoxy)-6,8b-dimethyl-1H-naphth[2',1',8':3,4,5]azuleno[1.8-bc]furan-3(1aH)-one
(2S,5S*,7S*,9S,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
(5b.alpha.,5c.alpha.,8a.alpha.,8b.alpha.)-5c,8c-Dibromo-5b,7,8b-trimethyl-2-(4-methylphenyl)-5,5b,5c,8a,8b,9-hexahydro-1H,6H-pyrrolo[4'',5'':3',4']cyclobuta[1',2':3,4]cyclobuta[1,2-d][1,2,4]triazolo[1,2-a]pyridazine-1,3,6,8(2H,7H)-tetraone
6H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-1(13aH)-one, 5,7,10,12-tetrakis(acetyloxy)-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-, (2aR*,3Z,5S*,7R*,7aR*,8Z,10S*,11R*,11aR*,12R*,12aS*,13aS*)-
| Title | Journal or Book | Year |
|---|---|---|
| Oleanane Triterpene Saponins from the Chinese Medicinal Herb Clinopodium chinensis | Journal of Natural Products | 1995 |