| SpectraBase Spectrum ID |
7juPaiOOsU9 |
| Name |
8-(Acetyloxy)-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate |
| CAS Registry Number |
561-07-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H45NO9 |
| InChI |
InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21?,22?,23-,24+,25?,26-,27-,28?,30+,31+,32-,33+/m1/s1 |
| InChIKey |
REVYTWNGZDPRKE-JLGUMXOZSA-N |
| Molecular Weight |
599.721 g/mol |
| SMILES |
O[C@]12C[C@]3([C@@]45C(OC)CC[C@@]6([C@]5(C(OC)[C@@]([C@]4(N(C)C6)[H])([C@@]([C@]3(C1OC(=O)c1ccccc1)[H])(OC(C)=O)CC2OC)[H])[H])COC)[H] |
| SPLASH |
splash10-066r-4810190000-fc62685cd6790aad6226 |
| Synonyms |
Aconitane-8,10,11-triol, 1,6,19-trimethoxy-4-(methoxymethyl)-16-methyl-, 8-acetate 10-benzoate, (1.alpha.,6.alpha.,10.alpha.,19.beta.)-
Aconitane-8,13,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,6alpha,14alpha,16beta)-
Delphinine
EINECS 209-214-0
NSC 56463 |
| Wiley ID |
1509475 |
