| SpectraBase Spectrum ID |
62FQmle1L8I |
| Name |
N-acetyl-9-oxo-14,15,17-trinor-8,9-secolabdane-8,13x-lactam |
| Alternate Name(s) |
(S)-4-Acetyl-5,8a,12,12-tetramethyl-dodecahydro-benzo[e]azecine-3,8-dione
4-acetyl-5,8a,12,12-tetramethyldodecahydro-4-benzazecine-3,8-dione |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H31NO3 |
| InChI |
InChI=1S/C19H31NO3/c1-13-7-9-16(22)19(5)12-6-11-18(3,4)15(19)8-10-17(23)20(13)14(2)21/h13,15H,6-12H2,1-5H3/t13?,15?,19-/m0/s1 |
| InChIKey |
BCEQCJSRLBSKAN-XBMPDCEQSA-N |
| Molecular Weight |
321.461 g/mol |
| SMILES |
C1(N(C(CCC([C@]2(CCCC(C2CC1)(C)C)C)=O)C)C(=O)C)=O |
| SPLASH |
splash10-00fr-0059000000-7132aac7ac5555f7dca2 |
| Source of Spectrum |
B-46-49-0 |
| Wiley ID |
1321033 |
