| SpectraBase Spectrum ID |
430yPtGKiJA |
| Name |
2-Methyl hydrogen 8,13-epoxy-3-oxo-1,2-secolabdane-1,2-dioate |
| Alternate Name(s) |
(2S,4aR,5S,6S,8aR)-2-ethyl-6-(3-methoxy-1,1-dimethyl-2,3-dioxopropyl)-2,5,8a-trimethyloctahydro-2H-chromene-5-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O6 |
| InChI |
InChI=1S/C21H34O6/c1-8-19(4)11-9-14-20(5,27-19)12-10-13(21(14,6)17(24)25)18(2,3)15(22)16(23)26-7/h13-14H,8-12H2,1-7H3,(H,24,25)/t13-,14-,19-,20+,21-/m0/s1 |
| InChIKey |
VESUTFOZYYQULL-IFCUIPEHSA-N |
| Molecular Weight |
382.497 g/mol |
| SMILES |
OC([C@]1([C@](C(C(C(=O)OC)=O)(C)C)(CC[C@@]2([C@@]1(CC[C@@](CC)(C)O2)[H])C)[H])C)=O |
| SPLASH |
splash10-00lr-0009000000-fec415c0e1b8f2919d3e |
| Source of Spectrum |
B-46-1125-0 |
| Wiley ID |
1360576 |
