| SpectraBase Spectrum ID |
1YwVGQvNTXS |
| Name |
13-(1'-hydroxyethyl)-8.alpha.,16-diacetoxy-11-epicostus lactone |
| Alternate Name(s) |
2-[(3R,4S,9bR)-4-(acetyloxy)-6,9-dimethylene-2-oxododecahydroazuleno[4,5-b]furan-3-yl]-1-methylethyl acetate |
| CAS Registry Number |
108743-53-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O6 |
| InChI |
InChI=1S/C21H28O6/c1-10-6-7-15-11(2)8-17(26-14(5)23)19-16(9-12(3)25-13(4)22)21(24)27-20(19)18(10)15/h12,15-20H,1-2,6-9H2,3-5H3/t12?,15?,16-,17+,18?,19?,20-/m1/s1 |
| InChIKey |
OQLXSVNTKQLPHD-UKFKSHRMSA-N |
| Molecular Weight |
376.449 g/mol |
| SMILES |
[C@@]12(C([C@@](CC(OC(=O)C)C)(C(O2)=O)[H])[C@](CC(C2C1C(CC2)=C)=C)(OC(=O)C)[H])[H] |
| SPLASH |
splash10-0a4i-0092000000-91736acf40acf1fcbe0d |
| Source of Spectrum |
J-52-3325-15 |
| Wiley ID |
1357761 |
