| SpectraBase Spectrum ID |
7bwnqU98VM2 |
| Name |
[(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1-(Acetyloxy)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-11-oxo-1H-2,8a-methanoyclopenta[a]cyclopropa[e]cyclodecen-6-yl]methyl (2Z)-2-Methylbut-2-enoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O8 |
| InChI |
InChI=1S/C27H36O8/c1-7-13(2)24(32)35-23-14(3)10-26-15(4)8-19-20(25(19,6)12-34-16(5)29)18(22(26)31)9-17(11-28)21(30)27(23,26)33/h7,9-10,15,18-21,23,28,30,33H,8,11-12H2,1-6H3/b13-7-/t15-,18+,19-,20+,21-,23+,25-,26+,27+/m1/s1 |
| InChIKey |
WFARRMXSMIFKFV-KBVRKOEUSA-N |
| Literature Reference DOI |
10.1002/hlca.200590254 |
| Molecular Weight |
488.577 g/mol |
| SMILES |
O[C@]1([C@]2([C@@]3(C([C@](C=C1CO)([H])[C@]1([C@@](C[C@]3(C)[H])([C@]1(COC(=O)C)C)[H])[H])=O)C=C([C@@]2(OC(\C(C)=C/C)=O)[H])C)O)[H] |
| SPLASH |
splash10-00ej-8913100000-fd7199e77a79a0b51b86 |
| Source of Spectrum |
H-88-3149-4 |
| Synonyms |
17-(Acetyloxy)-3-O-angeloyl-ingenol
(1R,1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1-(acetoxymethyl)-5,5a-dihydroxy-4-(hydroxymethyl)-1,7,9-trimethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-6-yl (Z)-2-methylbut-2-enoate |
| Wiley ID |
1785611 |
