| SpectraBase Spectrum ID |
CpyaZt04g4r |
| Name |
3,4-Epoxymarrubiagenin methyl ester |
| Alternate Name(s) |
Methyl (3aR,4S,5R,7aS)-4,5,7a-trimethyl-4-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)octahydronaphtho[1,2-b]oxirene-7b(1aH)-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O5 |
| InChI |
InChI=1S/C21H30O5/c1-13-7-10-20(3)15(5-6-16-21(20,26-16)18(23)24-4)19(13,2)9-8-14-11-17(22)25-12-14/h11,13,15-16H,5-10,12H2,1-4H3/t13-,15-,16?,19+,20+,21?/m1/s1 |
| InChIKey |
BJKZWNABSFOOIQ-HBSFDJTPSA-N |
| Literature Reference DOI |
10.1002/cber.19731060923 |
| Molecular Weight |
362.466 g/mol |
| SMILES |
C1C2C(C(=O)OC)([C@]3(CC[C@]([C@](CCC4=CC(=O)OC4)([C@]3(C1)[H])C)(C)[H])C)O2 |
| SPLASH |
splash10-014i-9533000000-33b2f3fa62a07203de4c |
| Source of Spectrum |
K-106-2941-10 |
| Wiley ID |
1793550 |
