| SpectraBase Spectrum ID |
B0HDLaaFZsr |
| Name |
diacetylmirabilin-D |
| Alternate Name(s) |
N-{(3aS,5aS,7S)-3-acetyl-8-[(2Z)-2-hexenyl]-8-hydroxy-7-methyl-3,3a,4,5,5a,6,7,8-octahydrocyclopenta[de]quinazolin-2-yl}acetamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H31N3O3 |
| InChI |
InChI=1S/C21H31N3O3/c1-5-6-7-8-11-21(27)13(2)12-16-9-10-17-18(16)19(21)23-20(22-14(3)25)24(17)15(4)26/h7-8,13,16-17,27H,5-6,9-12H2,1-4H3,(H,22,23,25)/b8-7-/t13-,16-,17-,21?/m0/s1 |
| InChIKey |
QDAPAVNNGPQYEF-LDTIQOMISA-N |
| Molecular Weight |
373.497 g/mol |
| SMILES |
OC1(C2=C3[C@@](CC[C@@]3(N(C(=N2)NC(=O)C)C(=O)C)[H])(C[C@@]1(C)[H])[H])C\C=C/CCC |
| SPLASH |
splash10-0ab9-9037000000-43f6e183c9c4bbc57604 |
| Source of Spectrum |
JA-49-767-0 |
| Wiley ID |
1356153 |
