8-DEACETOXY-8-O-BENZOYLOXY-CRASSICAULINE-A
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 4g51vxjqOQ7 |
|---|---|
| InChI | InChI=1S/C40H51NO10/c1-7-41-21-37(22-45-2)18-17-27(47-4)40-26-19-38(44)28(48-5)20-39(30(33(40)41)31(49-6)32(37)40,51-36(43)23-11-9-8-10-12-23)29(26)34(38)50-35(42)24-13-15-25(46-3)16-14-24/h8-16,26-34,44H,7,17-22H2,1-6H3/t26-,27+,28+,29-,30+,31+,32-,33-,34-,37-,38+,39-,40+/m1/s1 |
| InChIKey | XXGMPCKOJZXYCP-TUDWIHBQSA-N |
| Mol Weight | 705.8 g/mol |
| Molecular Formula | C40H51NO10 |
| Exact Mass | 705.351297 g/mol |
| Enantiomer InChIKey | XXGMPCKOJZXYCP-WJJSGXDMSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
(1S,5R,6R,9R,13R)-1,5-dimethyl-9-(dimethoxymethyl)-11-isobutoxy-11-methoxy-5-methoxycarbonyl-10-oxatricyclo[7.4.0.0(9,13)]tetradecane
Benzo[4,5]cyclodeca[1,2-b]furan-2,11(1H,3aH)-dione, 8,13-bis(acetyloxy)-4-chloro-4,5,8,8a,9,10,12,12a,13,13a-decahydro-13a-hydroxy-1,8a,12-trimethyl-5-methylene-, [1R-(1R*,3aR*,4S*,6Z,8S*,8aS*,12R*,12aS*,13S*,13aR*)]-
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*)-
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
Chromium, [.mu.-[[2,6-bis(trifluoromethyl)phenyl]diphosphenyl-P1:P1]]pentacarbonyl[dicarbonyl[(1,2,3,4,5-.eta.)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]iron]-, stereoisomer
2(3H)-Furanone, 5-[3-(acetyloxy)hexadecahydro-16-methoxy-4,4,8,10-tetramethyl-16,14-(epoxymethano)-14H-cyclopenta[a]phenanthren-17-yl]dihydro-5-methyl-, [3S-[3.alpha.,5.beta.,8.alpha.,9.beta.,10.alpha.,13.alpha.,14.beta.,1 6.beta.,17.alpha.(R*)]]-
trans-Tetradecahydro-7a,7b-diphenyl-1,14-ethanocyclobuta[1,2 ; 3,4]dicyclononene-15,15,16,16-tetracarbonitrile
4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-4-O-methyl-2,3-O-(1-methylethylidene)-.alpha.-L-mannopyranosyl-(1.fwdarw.4)-O-6-deoxy-2,3-O-(1-methylethylidene)-.alpha.-L-m annopyranosyl-(1.fwdarw.6)-2-O-methyl-3,4-O-(1-methylethylidene)-.beta.-D-galactopyranosyl]oxy]-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-
{3-[2'-(1",3"-Dioxolan-2"-yl)ethylidene]-13,17-bis[2-(methoxycarbonyl)ethyl]-2-[(methoxycarbonyl)methyl]-2,7,12,18-tetramethyl-3-oxo-2,3-dihydroporphyrinato}nickel (II)
(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
| Title | Journal or Book | Year |
|---|---|---|
| Structure-Analgesic Activity Relationship Studies on the C18- and C19-Diterpenoid Alkaloids | Chemical and Pharmaceutical Bulletin | 2009 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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