| SpectraBase Spectrum ID |
ACVeMcPT0GH |
| Name |
14-Debenzoyl-1-epi-decetylaconitine |
| Alternate Name(s) |
(1beta,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H41NO9 |
| InChI |
InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11?,12-,13-,14?,15?,16+,17?,18?,19-,20+,21+,22+,23-,24+,25-/m1/s1 |
| InChIKey |
SQMGCPHFHQGPIF-HZEZVJFVSA-N |
| Molecular Weight |
499.601 g/mol |
| SMILES |
O[C@]1([C@@]2(C3[C@]4(C5C[C@@]6([C@]([C@@]([C@@](C5[C@]6(O)[H])(C(C4N(C2)CC)[C@@]3(OC)[H])O)(O)[H])(OC)[H])O)[C@@](C1)(OC)[H])COC)[H] |
| SPLASH |
splash10-014i-0000900000-92bd4ba3280ecbc3b838 |
| Source of Spectrum |
H1-53-2031-1 |
| Wiley ID |
817875 |
